1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine

C90H128N6O12S3 — CID 157078295

About 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine

1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine (PubChem CID 157078295) has the molecular formula C90H128N6O12S3 and a molecular weight of 1582.24 g/mol. Its IUPAC name is 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine
• PubChem CID: 157078295
• Molecular Formula: C90H128N6O12S3
• Molecular Weight: 1582.24 g/mol
• Exact Mass: 1580.88
• IUPAC Name: 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine
• SMILES: COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCN4CCCCCC4)cc3)c2c1C.COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCN4CCCCCCCCCCC4)cc3)c2c1C.COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCNC(C)(C)C)cc3)c2c1C
• InChI: InChI=1S/C34H50N2O4S.C29H40N2O4S.C27H38N2O4S/c1-26(2)31-25-36-24-27(3)33(39-5)28(4)32(36)34(31)41(37,38)30-18-16-29(17-19-30)40-23-15-22-35-20-13-11-9-7-6-8-10-12-14-21-35;1-21(2)26-20-31-19-22(3)28(34-5)23(4)27(31)29(26)36(32,33)25-13-11-24(12-14-25)35-18-10-17-30-15-8-6-7-9-16-30;1-18(2)23-17-29-16-19(3)25(32-8)20(4)24(29)26(23)34(30,31)22-12-10-21(11-13-22)33-15-9-14-28-27(5,6)7/h16-19,24-26H,6-15,20-23H2,1-5H3;11-14,19-21H,6-10,15-18H2,1-5H3;10-13,16-18,28H,9,14-15H2,1-8H3
• InChIKey: ADFSIWRDFYIMGJ-UHFFFAOYSA-N
• XLogP: 19.96
• TPSA: 189.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.24
LogP ≤ 5	19.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine?

The IUPAC name of 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine (CID 157078295) is 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine.

What is the SMILES notation for 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine?

The canonical SMILES for 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine is COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCN4CCCCCC4)cc3)c2c1C.COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCN4CCCCCCCCCCC4)cc3)c2c1C.COc1c(C)cn2cc(C(C)C)c(S(=O)(=O)c3ccc(OCCCNC(C)(C)C)cc3)c2c1C.

What is the InChIKey of 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine?

The InChIKey is ADFSIWRDFYIMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N2O4S.C29H40N2O4S.C27H38N2O4S/c1-26(2)31-25-36-24-27(3)33(39-5)28(4)32(36)34(31)41(37,38)30-18-16-29(17-19-30)40-23-15-22-35-20-13-11-9-7-6-8-10-12-14-21-35;1-21(2)26-20-31-19-22(3)28(34-5)23(4)27(31)29(26)36(32,33)25-13-11-24(12-14-25)35-18-10-17-30-15-8-6-7-9-16-30;1-18(2)23-17-29-16-19(3)25(32-8)20(4)24(29)26(23)34(30,31)22-12-10-21(11-13-22)33-15-9-14-28-27(5,6)7/h16-19,24-26H,6-15,20-23H2,1-5H3;11-14,19-21H,6-10,15-18H2,1-5H3;10-13,16-18,28H,9,14-15H2,1-8H3.

What are the key properties of 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine?

1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 1582.24 g/mol, XLogP of 19.96, 27 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(azacyclododec-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;1-[4-[3-(azepan-1-yl)propoxy]phenyl]sulfonyl-7-methoxy-6,8-dimethyl-2-propan-2-ylindolizine;N-[3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 157078295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).