6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide

C16H15N3OS — CID 61092128

IUPAC6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide
SMILESCSc1ccc(NC(=O)c2c[nH]c3cc(N)ccc23)cc1
InChIInChI=1S/C16H15N3OS/c1-21-12-5-3-11(4-6-12)19-16(20)14-9-18-15-8-10(17)2-7-13(14)15/h2-9,18H,17H2,1H3,(H,19,20)
InChIKeyZHKWKOFLBOCQEJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.72
Rot. Bonds3

About 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide

6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide (PubChem CID 61092128) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide
PubChem CID61092128
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide
SMILESCSc1ccc(NC(=O)c2c[nH]c3cc(N)ccc23)cc1
InChIInChI=1S/C16H15N3OS/c1-21-12-5-3-11(4-6-12)19-16(20)14-9-18-15-8-10(17)2-7-13(14)15/h2-9,18H,17H2,1H3,(H,19,20)
InChIKeyZHKWKOFLBOCQEJ-UHFFFAOYSA-N
XLogP3.72
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide (CID 61092128) is 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide is CSc1ccc(NC(=O)c2c[nH]c3cc(N)ccc23)cc1.
What is the InChIKey of 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide?
The InChIKey is ZHKWKOFLBOCQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-21-12-5-3-11(4-6-12)19-16(20)14-9-18-15-8-10(17)2-7-13(14)15/h2-9,18H,17H2,1H3,(H,19,20).
What are the key properties of 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide?
6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61092128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).