[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C12H18Cl2N2O2S — CID 119988761

IUPAC[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC2CN)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-4-5-11(7-12(9)13)18(16,17)15-6-2-3-10(15)8-14;/h4-5,7,10H,2-3,6,8,14H2,1H3;1H
InChIKeyUEDPXMZCMIHUSU-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.18
Rot. Bonds3

About [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119988761) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119988761
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC2CN)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-4-5-11(7-12(9)13)18(16,17)15-6-2-3-10(15)8-14;/h4-5,7,10H,2-3,6,8,14H2,1H3;1H
InChIKeyUEDPXMZCMIHUSU-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443
[(2S)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 124591893
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
5-(2-ethylpyrrolidin-1-yl)sulfonyl-2-methylaniline
CID 54883049
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988722

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 119988761) is [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCC2CN)cc1Cl.Cl.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is UEDPXMZCMIHUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S.ClH/c1-9-4-5-11(7-12(9)13)18(16,17)15-6-2-3-10(15)8-14;/h4-5,7,10H,2-3,6,8,14H2,1H3;1H.
What are the key properties of [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 325.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119988761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).