(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone

C13H18N2OS — CID 141208538

IUPAC(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
SMILESCSc1cccc(C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C13H18N2OS/c1-17-12-6-2-4-10(8-12)13(16)15-7-3-5-11(14)9-15/h2,4,6,8,11H,3,5,7,9,14H2,1H3
InChIKeyPFLSXTMTYUSKOC-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.97
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone

(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone (PubChem CID 141208538) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
PubChem CID141208538
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
SMILESCSc1cccc(C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C13H18N2OS/c1-17-12-6-2-4-10(8-12)13(16)15-7-3-5-11(14)9-15/h2,4,6,8,11H,3,5,7,9,14H2,1H3
InChIKeyPFLSXTMTYUSKOC-UHFFFAOYSA-N
XLogP1.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone 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

(3-aminopiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107023968
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119379154
(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267106
(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
CID 176515168
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
CID 119062026
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-aminopiperidin-1-yl)-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]methanone
CID 119381254
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone (CID 141208538) is (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone is CSc1cccc(C(=O)N2CCCC(N)C2)c1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone?
The InChIKey is PFLSXTMTYUSKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-17-12-6-2-4-10(8-12)13(16)15-7-3-5-11(14)9-15/h2,4,6,8,11H,3,5,7,9,14H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone?
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone has a molecular weight of 250.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone is sourced from PubChem (CID 141208538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).