1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride

C11H16Cl2N2O2S — CID 119959822

IUPAC1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-10-5-1-2-6-11(10)17(15,16)14-7-3-4-9(13)8-14;/h1-2,5-6,9H,3-4,7-8,13H2;1H
InChIKeyJWCMQGABTRADRN-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.87
Rot. Bonds2

About 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride

1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 119959822) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID119959822
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-10-5-1-2-6-11(10)17(15,16)14-7-3-4-9(13)8-14;/h1-2,5-6,9H,3-4,7-8,13H2;1H
InChIKeyJWCMQGABTRADRN-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
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1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
1-(2-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706058
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470
1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
CID 120998816
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 28522353
1-(2-chloro-5-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 120998781
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959471

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 119959822) is 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride is Cl.NC1CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is JWCMQGABTRADRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S.ClH/c12-10-5-1-2-6-11(10)17(15,16)14-7-3-4-9(13)8-14;/h1-2,5-6,9H,3-4,7-8,13H2;1H.
What are the key properties of 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 311.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119959822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).