[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

C12H18Cl2N2O2S — CID 119969009

IUPAC[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C12H17ClN2O2S.ClH/c13-11-5-1-2-6-12(11)18(16,17)15-7-3-4-10(8-14)9-15;/h1-2,5-6,10H,3-4,7-9,14H2;1H
InChIKeyFNWNBIKJOMKPPV-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.12
Rot. Bonds3

About [1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (PubChem CID 119969009) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is [1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
PubChem CID119969009
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C12H17ClN2O2S.ClH/c13-11-5-1-2-6-12(11)18(16,17)15-7-3-4-10(8-14)9-15;/h1-2,5-6,10H,3-4,7-9,14H2;1H
InChIKeyFNWNBIKJOMKPPV-UHFFFAOYSA-N
XLogP2.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
[1-(2-bromo-3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708440
1-(2-chlorophenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110418188
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
2-[[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67100048
2-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727311
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727112
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (CID 119969009) is [1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of [1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The InChIKey is FNWNBIKJOMKPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S.ClH/c13-11-5-1-2-6-12(11)18(16,17)15-7-3-4-10(8-14)9-15;/h1-2,5-6,10H,3-4,7-9,14H2;1H.
What are the key properties of [1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride has a molecular weight of 325.26 g/mol, XLogP of 2.12, 3 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-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).