1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine

C12H17ClN2O2S — CID 119979815

IUPAC1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-14-11-6-8-15(9-7-11)18(16,17)12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3
InChIKeyHJWHFEABAYAJOK-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.71
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine

1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 119979815) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID119979815
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-14-11-6-8-15(9-7-11)18(16,17)12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3
InChIKeyHJWHFEABAYAJOK-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979817
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
CID 1477706
N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine
CID 119980169
1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 70168461
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980088

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine (CID 119979815) is 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is HJWHFEABAYAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-14-11-6-8-15(9-7-11)18(16,17)12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine?
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 288.80 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 119979815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).