1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide

C14H20N2OS — CID 66899395

IUPAC1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
SMILESCSc1ccccc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C14H20N2OS/c1-18-13-7-3-2-5-11(13)9-16-8-4-6-12(10-16)14(15)17/h2-3,5,7,12H,4,6,8-10H2,1H3,(H2,15,17)
InChIKeyKVLIOWNNOKBBCH-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.11
Rot. Bonds4

About 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide

1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 66899395) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
PubChem CID66899395
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
SMILESCSc1ccccc1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C14H20N2OS/c1-18-13-7-3-2-5-11(13)9-16-8-4-6-12(10-16)14(15)17/h2-3,5,7,12H,4,6,8-10H2,1H3,(H2,15,17)
InChIKeyKVLIOWNNOKBBCH-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methylsulfanylphenyl)methyl]piperidine-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

(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
(3R)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 129434666
(3S)-1-[[2-[[(1S)-1-cyclobutylethyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 100707846
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016
2-amino-6-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 104824237
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[[2-(but-2-ynoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 166403364
1-[(2-methylsulfanylphenyl)methyl]azetidine
CID 131107256

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide (CID 66899395) is 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide is CSc1ccccc1CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KVLIOWNNOKBBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-13-7-3-2-5-11(13)9-16-8-4-6-12(10-16)14(15)17/h2-3,5,7,12H,4,6,8-10H2,1H3,(H2,15,17).
What are the key properties of 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 66899395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).