1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine

C14H21ClN2O2S — CID 63597276

IUPAC1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-10-3-4-13(15)9-14(10)20(18,19)17-7-5-12(6-8-17)11(2)16/h3-4,9,11-12H,5-8,16H2,1-2H3
InChIKeyYXLQISVYCPLARW-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.40
Rot. Bonds3

About 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine

1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine (PubChem CID 63597276) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
PubChem CID63597276
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-10-3-4-13(15)9-14(10)20(18,19)17-7-5-12(6-8-17)11(2)16/h3-4,9,11-12H,5-8,16H2,1-2H3
InChIKeyYXLQISVYCPLARW-UHFFFAOYSA-N
XLogP2.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine 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

1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096
1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709083
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
1-[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596925
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974814
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 120709113
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709112

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine (CID 63597276) is 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine?
The InChIKey is YXLQISVYCPLARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-3-4-13(15)9-14(10)20(18,19)17-7-5-12(6-8-17)11(2)16/h3-4,9,11-12H,5-8,16H2,1-2H3.
What are the key properties of 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine?
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine has a molecular weight of 316.85 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 63597276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).