5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide

C15H19N3O2S — CID 64850708

IUPAC5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCC3CC=CCC3)c2c1
InChIInChI=1S/C15H19N3O2S/c16-12-6-7-14-13(8-12)15(10-17-14)21(19,20)18-9-11-4-2-1-3-5-11/h1-2,6-8,10-11,17-18H,3-5,9,16H2
InChIKeySJRBTOKDJSGJRM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds4

About 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide

5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide (PubChem CID 64850708) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide
PubChem CID64850708
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCC3CC=CCC3)c2c1
InChIInChI=1S/C15H19N3O2S/c16-12-6-7-14-13(8-12)15(10-17-14)21(19,20)18-9-11-4-2-1-3-5-11/h1-2,6-8,10-11,17-18H,3-5,9,16H2
InChIKeySJRBTOKDJSGJRM-UHFFFAOYSA-N
XLogP2.38
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide 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

6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
CID 66000332
4-amino-2-(cyclohex-3-en-1-ylmethylsulfamoyl)benzoic acid
CID 102931174
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
CID 64852852
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
CID 64850895
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64850304
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide
CID 64852859
5-amino-N-(2-prop-2-enylsulfanylethyl)-1H-indole-3-sulfonamide
CID 106425405

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide (CID 64850708) is 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide is Nc1ccc2[nH]cc(S(=O)(=O)NCC3CC=CCC3)c2c1.
What is the InChIKey of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide?
The InChIKey is SJRBTOKDJSGJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-12-6-7-14-13(8-12)15(10-17-14)21(19,20)18-9-11-4-2-1-3-5-11/h1-2,6-8,10-11,17-18H,3-5,9,16H2.
What are the key properties of 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide?
5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclohex-3-en-1-ylmethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64850708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).