1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine

C12H17ClN2O2S — CID 62536748

IUPAC1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C12H17ClN2O2S/c1-14-11-5-3-7-15(9-11)18(16,17)12-6-2-4-10(13)8-12/h2,4,6,8,11,14H,3,5,7,9H2,1H3
InChIKeyFIXGHYACKSUWBL-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.71
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine

1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine (PubChem CID 62536748) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
PubChem CID62536748
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C12H17ClN2O2S/c1-14-11-5-3-7-15(9-11)18(16,17)12-6-2-4-10(13)8-12/h2,4,6,8,11,14H,3,5,7,9H2,1H3
InChIKeyFIXGHYACKSUWBL-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-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719
3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
CID 120715451
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
1-(1,3-benzodioxol-5-ylsulfonyl)-N-methylpiperidin-3-amine
CID 110868407
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714757
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187627
N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine
CID 120999241

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine (CID 62536748) is 1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is FIXGHYACKSUWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-14-11-5-3-7-15(9-11)18(16,17)12-6-2-4-10(13)8-12/h2,4,6,8,11,14H,3,5,7,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine?
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-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-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 62536748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).