N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane

C92H121N13O8S13 — CID 159635215

IUPACN-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane
SMILESC.C.C.C.CCS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1.CS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1.O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2cccnc12.O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1
InChIInChI=1S/C27H28N4O2S3.C22H25N3O2S4.C20H27N3O2S3.C19H25N3O2S3.4CH4/c32-36(33,24-9-3-5-19-6-4-15-28-25(19)24)29-17-18-10-12-20(13-11-18)30-27-31-26-21-7-1-2-8-22(21)34-16-14-23(26)35-27;26-31(27,20-6-3-12-29-20)23-14-15-7-9-16(10-8-15)24-22-25-21-17-4-1-2-5-18(17)28-13-11-19(21)30-22;1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20;1-27(23,24)20-12-13-6-8-14(9-7-13)21-19-22-18-15-4-2-3-5-16(15)25-11-10-17(18)26-19;;;;/h1-9,15,18,20,29H,10-14,16-17H2,(H,30,31);1-6,12,15-16,23H,7-11,13-14H2,(H,24,25);3-6,14-15,21H,2,7-13H2,1H3,(H,22,23);2-5,13-14,20H,6-12H2,1H3,(H,21,22);4*1H4
InChIKeyMPQOEYTZLYVTOH-UHFFFAOYSA-N
MW1953.93 g/mol
LogP22.32
Rot. Bonds23

About N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane

N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane (PubChem CID 159635215) has the molecular formula C92H121N13O8S13 and a molecular weight of 1953.93 g/mol. Its IUPAC name is N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane.

Molecular Properties

Compound NameN-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane
PubChem CID159635215
Molecular FormulaC92H121N13O8S13
Molecular Weight1953.93 g/mol
Exact Mass1951.58
IUPAC NameN-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane
SMILESC.C.C.C.CCS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1.CS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1.O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2cccnc12.O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1
InChIInChI=1S/C27H28N4O2S3.C22H25N3O2S4.C20H27N3O2S3.C19H25N3O2S3.4CH4/c32-36(33,24-9-3-5-19-6-4-15-28-25(19)24)29-17-18-10-12-20(13-11-18)30-27-31-26-21-7-1-2-8-22(21)34-16-14-23(26)35-27;26-31(27,20-6-3-12-29-20)23-14-15-7-9-16(10-8-15)24-22-25-21-17-4-1-2-5-18(17)28-13-11-19(21)30-22;1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20;1-27(23,24)20-12-13-6-8-14(9-7-13)21-19-22-18-15-4-2-3-5-16(15)25-11-10-17(18)26-19;;;;/h1-9,15,18,20,29H,10-14,16-17H2,(H,30,31);1-6,12,15-16,23H,7-11,13-14H2,(H,24,25);3-6,14-15,21H,2,7-13H2,1H3,(H,22,23);2-5,13-14,20H,6-12H2,1H3,(H,21,22);4*1H4
InChIKeyMPQOEYTZLYVTOH-UHFFFAOYSA-N
XLogP22.32
TPSA297.25 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001953.93
LogP ≤ 522.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane?
The IUPAC name of N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane (CID 159635215) is N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane.
What is the SMILES notation for N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane?
The canonical SMILES for N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane is C.C.C.C.CCS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1.CS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1.O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2cccnc12.O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1.
What is the InChIKey of N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane?
The InChIKey is MPQOEYTZLYVTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S3.C22H25N3O2S4.C20H27N3O2S3.C19H25N3O2S3.4CH4/c32-36(33,24-9-3-5-19-6-4-15-28-25(19)24)29-17-18-10-12-20(13-11-18)30-27-31-26-21-7-1-2-8-22(21)34-16-14-23(26)35-27;26-31(27,20-6-3-12-29-20)23-14-15-7-9-16(10-8-15)24-22-25-21-17-4-1-2-5-18(17)28-13-11-19(21)30-22;1-2-28(24,25)21-13-14-7-9-15(10-8-14)22-20-23-19-16-5-3-4-6-17(16)26-12-11-18(19)27-20;1-27(23,24)20-12-13-6-8-14(9-7-13)21-19-22-18-15-4-2-3-5-16(15)25-11-10-17(18)26-19;;;;/h1-9,15,18,20,29H,10-14,16-17H2,(H,30,31);1-6,12,15-16,23H,7-11,13-14H2,(H,24,25);3-6,14-15,21H,2,7-13H2,1H3,(H,22,23);2-5,13-14,20H,6-12H2,1H3,(H,21,22);4*1H4.
What are the key properties of N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane?
N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane has a molecular weight of 1953.93 g/mol, XLogP of 22.32, 23 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]ethanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]quinoline-8-sulfonamide;N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]thiophene-2-sulfonamide;methane is sourced from PubChem (CID 159635215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).