13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane

C37H54N4O3S — CID 143186616

IUPAC13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane
SMILESCC.CCC.CN(C)SNC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCC(O)C1)Cc1ccccc1-3
InChIInChI=1S/C32H40N4O3S.C3H8.C2H6/c1-34(2)40-33-31(38)23-14-15-27-28(18-23)36-19-24(32(39)35-16-8-12-25(37)20-35)17-22-11-6-7-13-26(22)30(36)29(27)21-9-4-3-5-10-21;1-3-2;1-2/h6-7,11,13-15,18,21,24-25,37H,3-5,8-10,12,16-17,19-20H2,1-2H3,(H,33,38);3H2,1-2H3;1-2H3
InChIKeyUTDLNUFVUCRUOC-UHFFFAOYSA-N
MW634.93 g/mol
LogP7.81
Rot. Bonds5

About 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane

13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane (PubChem CID 143186616) has the molecular formula C37H54N4O3S and a molecular weight of 634.93 g/mol. Its IUPAC name is 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane.

Molecular Properties

Compound Name13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane
PubChem CID143186616
Molecular FormulaC37H54N4O3S
Molecular Weight634.93 g/mol
Exact Mass634.39
IUPAC Name13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane
SMILESCC.CCC.CN(C)SNC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCC(O)C1)Cc1ccccc1-3
InChIInChI=1S/C32H40N4O3S.C3H8.C2H6/c1-34(2)40-33-31(38)23-14-15-27-28(18-23)36-19-24(32(39)35-16-8-12-25(37)20-35)17-22-11-6-7-13-26(22)30(36)29(27)21-9-4-3-5-10-21;1-3-2;1-2/h6-7,11,13-15,18,21,24-25,37H,3-5,8-10,12,16-17,19-20H2,1-2H3,(H,33,38);3H2,1-2H3;1-2H3
InChIKeyUTDLNUFVUCRUOC-UHFFFAOYSA-N
XLogP7.81
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.93
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-cyclohexyl-10-N-(dimethylaminosulfanyl)-3-ethyl-6-N-methyl-6-N-(2-morpholin-4-ylprop-2-enyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide
CID 143427481
(6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-pyridin-4-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 58677004
13-cyclohexyl-6-(1,2,4-triazol-4-ylcarbamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 16666660
methyl 13-cyclohexyl-6-nitroso-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 90977041
methyl 6-amino-13-cycloheptyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143523299
3-cyclohexyl-15-(dimethylaminosulfanylcarbamoyl)-16-[[ethyl(methyl)amino]methyl]-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylic acid
CID 143830898
methyl 13-cyclohexyl-6-formyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 86640311
12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid;methyl 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylate
CID 157061369
methyl (10S)-19-cyclohexyl-10-hydroxy-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
CID 66674899
13-cyclohexyl-N-(dimethylaminosulfanyl)-6-[4-(dimethylcarbamoyl)piperidine-1-carbonyl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143427605
13-cyclohexyl-3-methoxy-6-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143589976
19-cyclohexyl-N-(dimethylaminosulfanyl)-10-(4-hydroxy-4-methylpiperidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 145475020

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane?
The IUPAC name of 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane (CID 143186616) is 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane.
What is the SMILES notation for 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane?
The canonical SMILES for 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane is CC.CCC.CN(C)SNC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCC(O)C1)Cc1ccccc1-3.
What is the InChIKey of 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane?
The InChIKey is UTDLNUFVUCRUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O3S.C3H8.C2H6/c1-34(2)40-33-31(38)23-14-15-27-28(18-23)36-19-24(32(39)35-16-8-12-25(37)20-35)17-22-11-6-7-13-26(22)30(36)29(27)21-9-4-3-5-10-21;1-3-2;1-2/h6-7,11,13-15,18,21,24-25,37H,3-5,8-10,12,16-17,19-20H2,1-2H3,(H,33,38);3H2,1-2H3;1-2H3.
What are the key properties of 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane?
13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane has a molecular weight of 634.93 g/mol, XLogP of 7.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-N-(dimethylaminosulfanyl)-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide;ethane;propane is sourced from PubChem (CID 143186616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).