4-(3-methylsulfanylanilino)piperidine-1-carboxamide

C13H19N3OS — CID 43757325

IUPAC4-(3-methylsulfanylanilino)piperidine-1-carboxamide
SMILESCSc1cccc(NC2CCN(C(N)=O)CC2)c1
InChIInChI=1S/C13H19N3OS/c1-18-12-4-2-3-11(9-12)15-10-5-7-16(8-6-10)13(14)17/h2-4,9-10,15H,5-8H2,1H3,(H2,14,17)
InChIKeyNYJTWDBAAHLWFF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.36
Rot. Bonds3

About 4-(3-methylsulfanylanilino)piperidine-1-carboxamide

4-(3-methylsulfanylanilino)piperidine-1-carboxamide (PubChem CID 43757325) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(3-methylsulfanylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylsulfanylanilino)piperidine-1-carboxamide
PubChem CID43757325
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-(3-methylsulfanylanilino)piperidine-1-carboxamide
SMILESCSc1cccc(NC2CCN(C(N)=O)CC2)c1
InChIInChI=1S/C13H19N3OS/c1-18-12-4-2-3-11(9-12)15-10-5-7-16(8-6-10)13(14)17/h2-4,9-10,15H,5-8H2,1H3,(H2,14,17)
InChIKeyNYJTWDBAAHLWFF-UHFFFAOYSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(dimethylamino)anilino]piperidine-1-carboxamide
CID 115376468
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
methyl N-[3-[(1-carbamoylpiperidin-4-yl)amino]phenyl]carbamate
CID 60942471
4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
CID 43783712
4-(2-methylsulfanylanilino)piperidine-1-carboxamide
CID 43781018
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
1-N-(3-methylsulfanylphenyl)cyclobutane-1,3-diamine
CID 80559355
N-(4-tert-butylcyclohexyl)-3-methylsulfanylaniline
CID 28533619
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(3-methylsulfanylanilino)piperidine-1-carboxamide (CID 43757325) is 4-(3-methylsulfanylanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methylsulfanylanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methylsulfanylanilino)piperidine-1-carboxamide is CSc1cccc(NC2CCN(C(N)=O)CC2)c1.
What is the InChIKey of 4-(3-methylsulfanylanilino)piperidine-1-carboxamide?
The InChIKey is NYJTWDBAAHLWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-18-12-4-2-3-11(9-12)15-10-5-7-16(8-6-10)13(14)17/h2-4,9-10,15H,5-8H2,1H3,(H2,14,17).
What are the key properties of 4-(3-methylsulfanylanilino)piperidine-1-carboxamide?
4-(3-methylsulfanylanilino)piperidine-1-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43757325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).