3-(4-methylanilino)thiane-3-carboxamide

C13H18N2OS — CID 62872924

IUPAC3-(4-methylanilino)thiane-3-carboxamide
SMILESCc1ccc(NC2(C(N)=O)CCCSC2)cc1
InChIInChI=1S/C13H18N2OS/c1-10-3-5-11(6-4-10)15-13(12(14)16)7-2-8-17-9-13/h3-6,15H,2,7-9H2,1H3,(H2,14,16)
InChIKeyHBVZKDBWHRFRMJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.16
Rot. Bonds3

About 3-(4-methylanilino)thiane-3-carboxamide

3-(4-methylanilino)thiane-3-carboxamide (PubChem CID 62872924) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-(4-methylanilino)thiane-3-carboxamide.

Molecular Properties

Compound Name3-(4-methylanilino)thiane-3-carboxamide
PubChem CID62872924
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-(4-methylanilino)thiane-3-carboxamide
SMILESCc1ccc(NC2(C(N)=O)CCCSC2)cc1
InChIInChI=1S/C13H18N2OS/c1-10-3-5-11(6-4-10)15-13(12(14)16)7-2-8-17-9-13/h3-6,15H,2,7-9H2,1H3,(H2,14,16)
InChIKeyHBVZKDBWHRFRMJ-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylanilino)thiane-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

Related Compounds

1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
4-(4-methylanilino)thiane-4-carboxamide
CID 61318390
3-(4-methylanilino)thiolane-3-carboxylic acid
CID 60992287
4-(4-methylanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075790
ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
CID 54889893
4-(4-methylanilino)-1-propan-2-ylpiperidine-4-carboxamide
CID 61005719
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
3-methoxy-1-(4-methylanilino)cyclobutane-1-carboxamide
CID 106822432
1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
1-(4-methoxyanilino)cycloheptane-1-carboxamide
CID 54889423
ethyl 3-(3-bromoanilino)thiane-3-carboxylate
CID 62873291
4-(4-methylanilino)oxepane-4-carboxylic acid
CID 65079627

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)thiane-3-carboxamide?
The IUPAC name of 3-(4-methylanilino)thiane-3-carboxamide (CID 62872924) is 3-(4-methylanilino)thiane-3-carboxamide.
What is the SMILES notation for 3-(4-methylanilino)thiane-3-carboxamide?
The canonical SMILES for 3-(4-methylanilino)thiane-3-carboxamide is Cc1ccc(NC2(C(N)=O)CCCSC2)cc1.
What is the InChIKey of 3-(4-methylanilino)thiane-3-carboxamide?
The InChIKey is HBVZKDBWHRFRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10-3-5-11(6-4-10)15-13(12(14)16)7-2-8-17-9-13/h3-6,15H,2,7-9H2,1H3,(H2,14,16).
What are the key properties of 3-(4-methylanilino)thiane-3-carboxamide?
3-(4-methylanilino)thiane-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)thiane-3-carboxamide is sourced from PubChem (CID 62872924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).