N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C10H13NOS2 — CID 134490422

IUPACN-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCSNC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C10H13NOS2/c1-13-11-10(12)9-6-7-4-2-3-5-8(7)14-9/h6H,2-5H2,1H3,(H,11,12)
InChIKeyMSPBXOZLTDOCRM-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.63
Rot. Bonds2

About N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 134490422) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID134490422
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC NameN-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCSNC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C10H13NOS2/c1-13-11-10(12)9-6-7-4-2-3-5-8(7)14-9/h6H,2-5H2,1H3,(H,11,12)
InChIKeyMSPBXOZLTDOCRM-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide 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

N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
N-[(2R)-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 79027802
N'-(5-methylthiophene-2-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845773
N'-(5-acetylthiophene-2-carbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9089399
N-(3-oxobutan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 64996741
N-[(2R)-3,3-dimethylbutan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1247016
N-(4-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9153937
N-(2-oxopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 64997058
N-(2-hydroxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43389911

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 134490422) is N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CSNC(=O)c1cc2c(s1)CCCC2.
What is the InChIKey of N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is MSPBXOZLTDOCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-13-11-10(12)9-6-7-4-2-3-5-8(7)14-9/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 134490422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).