4-(2-methylsulfanylanilino)piperidine-1-carboxamide

C13H19N3OS — CID 43781018

IUPAC4-(2-methylsulfanylanilino)piperidine-1-carboxamide
SMILESCSc1ccccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H19N3OS/c1-18-12-5-3-2-4-11(12)15-10-6-8-16(9-7-10)13(14)17/h2-5,10,15H,6-9H2,1H3,(H2,14,17)
InChIKeyYQMJBPYDJYKZNP-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.36
Rot. Bonds3

About 4-(2-methylsulfanylanilino)piperidine-1-carboxamide

4-(2-methylsulfanylanilino)piperidine-1-carboxamide (PubChem CID 43781018) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(2-methylsulfanylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylsulfanylanilino)piperidine-1-carboxamide
PubChem CID43781018
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-(2-methylsulfanylanilino)piperidine-1-carboxamide
SMILESCSc1ccccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H19N3OS/c1-18-12-5-3-2-4-11(12)15-10-6-8-16(9-7-10)13(14)17/h2-5,10,15H,6-9H2,1H3,(H2,14,17)
InChIKeyYQMJBPYDJYKZNP-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-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide
CID 60927749
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
4-(3-methylsulfanylanilino)piperidine-1-carboxamide
CID 43757325
4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide
CID 43789870
methyl 3-[(1-carbamoylpiperidin-4-yl)amino]-2-methylbenzoate
CID 43784592
N-(2-methylsulfanylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43683305
N-(2-methylsulfanylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43781005
4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070
4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide
CID 63037864
2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(2-methylsulfanylanilino)piperidine-1-carboxamide (CID 43781018) is 4-(2-methylsulfanylanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methylsulfanylanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methylsulfanylanilino)piperidine-1-carboxamide is CSc1ccccc1NC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(2-methylsulfanylanilino)piperidine-1-carboxamide?
The InChIKey is YQMJBPYDJYKZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-18-12-5-3-2-4-11(12)15-10-6-8-16(9-7-10)13(14)17/h2-5,10,15H,6-9H2,1H3,(H2,14,17).
What are the key properties of 4-(2-methylsulfanylanilino)piperidine-1-carboxamide?
4-(2-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-(2-methylsulfanylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43781018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).