(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone

C14H18ClNOS — CID 78776798

IUPAC(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCSc1ccc(Cl)c(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C14H18ClNOS/c1-10-4-3-7-16(9-10)14(17)12-8-11(18-2)5-6-13(12)15/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyHDBVEEWJZATVQZ-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.93
Rot. Bonds2

About (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone

(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 78776798) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID78776798
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCSc1ccc(Cl)c(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C14H18ClNOS/c1-10-4-3-7-16(9-10)14(17)12-8-11(18-2)5-6-13(12)15/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyHDBVEEWJZATVQZ-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)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

(2-chloro-5-methylsulfanylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51922925
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916589
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(3-amino-5-methylpiperidin-1-yl)-(2-chloro-5-methylsulfanylphenyl)methanone
CID 79994151
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
1-(2-chloro-5-methylsulfanylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720312
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 62069294
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(2-chloro-5-methylsulfanylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872143
(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47004692
N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
CID 119481286
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119485849

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone (CID 78776798) is (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone is CSc1ccc(Cl)c(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HDBVEEWJZATVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-10-4-3-7-16(9-10)14(17)12-8-11(18-2)5-6-13(12)15/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone?
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 283.82 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 78776798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).