1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine

C230H293N17O28S8 — CID 157359291

IUPAC1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
SMILESCC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCCCCCCCCCC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC2CCCCC2)cc1.CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.COc1cc(NCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
InChIInChI=1S/C31H36N2O3S.C31H44N2O3S.C30H35N3O3S.C30H36N2O5S.C28H32N2O5S.C28H40N2O3S.C26H34N2O3S.C26H36N2O3S/c1-24(2)29-23-33-19-7-6-11-30(33)31(29)37(34,35)28-14-12-27(13-15-28)36-22-8-18-32-20-16-26(17-21-32)25-9-4-3-5-10-25;1-26(2)29-25-33-23-13-10-15-30(33)31(29)37(34,35)28-18-16-27(17-19-28)36-24-14-22-32-20-11-8-6-4-3-5-7-9-12-21-32;1-24(2)28-23-33-17-7-6-11-29(33)30(28)37(34,35)27-14-12-26(13-15-27)36-22-8-16-31-18-20-32(21-19-31)25-9-4-3-5-10-25;1-22(2)26-21-32-18-6-5-8-27(32)30(26)38(33,34)25-12-10-24(11-13-25)37-19-7-16-31-17-15-23-9-14-28(35-3)29(20-23)36-4;1-20(2)26-19-30-14-6-5-8-27(30)28(26)36(31,32)25-11-9-22(10-12-25)35-15-7-13-29-21-16-23(33-3)18-24(17-21)34-4;1-5-7-17-29(18-8-6-2)19-11-21-33-24-13-15-25(16-14-24)34(31,32)28-26(23(3)4)22-30-20-10-9-12-27(28)30;1-20(2)24-19-28-17-7-6-11-25(28)26(24)32(29,30)23-14-12-22(13-15-23)31-18-8-16-27-21-9-4-3-5-10-21;1-5-15-27(16-6-2)17-9-19-31-22-11-13-23(14-12-22)32(29,30)26-24(21(3)4)20-28-18-8-7-10-25(26)28/h3-7,9-15,19,23-24,26H,8,16-18,20-22H2,1-2H3;10,13,15-19,23,25-26H,3-9,11-12,14,20-22,24H2,1-2H3;3-7,9-15,17,23-24H,8,16,18-22H2,1-2H3;5-6,8-14,18,20-22,31H,7,15-17,19H2,1-4H3;5-6,8-12,14,16-20,29H,7,13,15H2,1-4H3;9-10,12-16,20,22-23H,5-8,11,17-19,21H2,1-4H3;6-7,11-15,17,19-21,27H,3-5,8-10,16,18H2,1-2H3;7-8,10-14,18,20-21H,5-6,9,15-17,19H2,1-4H3
InChIKeyBILGXHAMQMVXCI-UHFFFAOYSA-N
MW4000.50 g/mol
LogP48.77
Rot. Bonds85

About 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine

1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine (PubChem CID 157359291) has the molecular formula C230H293N17O28S8 and a molecular weight of 4000.50 g/mol. Its IUPAC name is 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine.

Molecular Properties

Compound Name1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
PubChem CID157359291
Molecular FormulaC230H293N17O28S8
Molecular Weight4000.50 g/mol
Exact Mass3996.98
IUPAC Name1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
SMILESCC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCCCCCCCCCC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC2CCCCC2)cc1.CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.COc1cc(NCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC
InChIInChI=1S/C31H36N2O3S.C31H44N2O3S.C30H35N3O3S.C30H36N2O5S.C28H32N2O5S.C28H40N2O3S.C26H34N2O3S.C26H36N2O3S/c1-24(2)29-23-33-19-7-6-11-30(33)31(29)37(34,35)28-14-12-27(13-15-28)36-22-8-18-32-20-16-26(17-21-32)25-9-4-3-5-10-25;1-26(2)29-25-33-23-13-10-15-30(33)31(29)37(34,35)28-18-16-27(17-19-28)36-24-14-22-32-20-11-8-6-4-3-5-7-9-12-21-32;1-24(2)28-23-33-17-7-6-11-29(33)30(28)37(34,35)27-14-12-26(13-15-27)36-22-8-16-31-18-20-32(21-19-31)25-9-4-3-5-10-25;1-22(2)26-21-32-18-6-5-8-27(32)30(26)38(33,34)25-12-10-24(11-13-25)37-19-7-16-31-17-15-23-9-14-28(35-3)29(20-23)36-4;1-20(2)26-19-30-14-6-5-8-27(30)28(26)36(31,32)25-11-9-22(10-12-25)35-15-7-13-29-21-16-23(33-3)18-24(17-21)34-4;1-5-7-17-29(18-8-6-2)19-11-21-33-24-13-15-25(16-14-24)34(31,32)28-26(23(3)4)22-30-20-10-9-12-27(28)30;1-20(2)24-19-28-17-7-6-11-25(28)26(24)32(29,30)23-14-12-22(13-15-23)31-18-8-16-27-21-9-4-3-5-10-21;1-5-15-27(16-6-2)17-9-19-31-22-11-13-23(14-12-22)32(29,30)26-24(21(3)4)20-28-18-8-7-10-25(26)28/h3-7,9-15,19,23-24,26H,8,16-18,20-22H2,1-2H3;10,13,15-19,23,25-26H,3-9,11-12,14,20-22,24H2,1-2H3;3-7,9-15,17,23-24H,8,16,18-22H2,1-2H3;5-6,8-14,18,20-22,31H,7,15-17,19H2,1-4H3;5-6,8-12,14,16-20,29H,7,13,15H2,1-4H3;9-10,12-16,20,22-23H,5-8,11,17-19,21H2,1-4H3;6-7,11-15,17,19-21,27H,3-5,8-10,16,18H2,1-2H3;7-8,10-14,18,20-21H,5-6,9,15-17,19H2,1-4H3
InChIKeyBILGXHAMQMVXCI-UHFFFAOYSA-N
XLogP48.77
TPSA474.69 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds85
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004000.50
LogP ≤ 548.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(3-bromopropoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propan-1-amine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenyl] 4-methylbenzenesulfonate
CID 158358859
N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
CID 159726835
N-butyl-N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;7-methoxy-6,8-dimethyl-1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine
CID 160592334

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?
The IUPAC name of 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine (CID 157359291) is 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine.
What is the SMILES notation for 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?
The canonical SMILES for 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine is CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCCCCCCCCCC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1.CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC2CCCCC2)cc1.CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.COc1cc(NCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1.COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC.
What is the InChIKey of 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?
The InChIKey is BILGXHAMQMVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O3S.C31H44N2O3S.C30H35N3O3S.C30H36N2O5S.C28H32N2O5S.C28H40N2O3S.C26H34N2O3S.C26H36N2O3S/c1-24(2)29-23-33-19-7-6-11-30(33)31(29)37(34,35)28-14-12-27(13-15-28)36-22-8-18-32-20-16-26(17-21-32)25-9-4-3-5-10-25;1-26(2)29-25-33-23-13-10-15-30(33)31(29)37(34,35)28-18-16-27(17-19-28)36-24-14-22-32-20-11-8-6-4-3-5-7-9-12-21-32;1-24(2)28-23-33-17-7-6-11-29(33)30(28)37(34,35)27-14-12-26(13-15-27)36-22-8-16-31-18-20-32(21-19-31)25-9-4-3-5-10-25;1-22(2)26-21-32-18-6-5-8-27(32)30(26)38(33,34)25-12-10-24(11-13-25)37-19-7-16-31-17-15-23-9-14-28(35-3)29(20-23)36-4;1-20(2)26-19-30-14-6-5-8-27(30)28(26)36(31,32)25-11-9-22(10-12-25)35-15-7-13-29-21-16-23(33-3)18-24(17-21)34-4;1-5-7-17-29(18-8-6-2)19-11-21-33-24-13-15-25(16-14-24)34(31,32)28-26(23(3)4)22-30-20-10-9-12-27(28)30;1-20(2)24-19-28-17-7-6-11-25(28)26(24)32(29,30)23-14-12-22(13-15-23)31-18-8-16-27-21-9-4-3-5-10-21;1-5-15-27(16-6-2)17-9-19-31-22-11-13-23(14-12-22)32(29,30)26-24(21(3)4)20-28-18-8-7-10-25(26)28/h3-7,9-15,19,23-24,26H,8,16-18,20-22H2,1-2H3;10,13,15-19,23,25-26H,3-9,11-12,14,20-22,24H2,1-2H3;3-7,9-15,17,23-24H,8,16,18-22H2,1-2H3;5-6,8-14,18,20-22,31H,7,15-17,19H2,1-4H3;5-6,8-12,14,16-20,29H,7,13,15H2,1-4H3;9-10,12-16,20,22-23H,5-8,11,17-19,21H2,1-4H3;6-7,11-15,17,19-21,27H,3-5,8-10,16,18H2,1-2H3;7-8,10-14,18,20-21H,5-6,9,15-17,19H2,1-4H3.
What are the key properties of 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine?
1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine has a molecular weight of 4000.50 g/mol, XLogP of 48.77, 85 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;3,5-dimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline;1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;1-[4-[3-(4-phenylpiperidin-1-yl)propoxy]phenyl]sulfonyl-2-propan-2-ylindolizine;3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine;N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]cyclohexanamine is sourced from PubChem (CID 157359291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).