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

C12H19ClN2O2S — CID 119988815

IUPAC[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1cccc(S(=O)(=O)N2CCCC2CN)c1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-4-2-6-12(8-10)17(15,16)14-7-3-5-11(14)9-13;/h2,4,6,8,11H,3,5,7,9,13H2,1H3;1H
InChIKeySPANXWZBNYHGAR-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.53
Rot. Bonds3

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

[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119988815) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is [1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119988815
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCc1cccc(S(=O)(=O)N2CCCC2CN)c1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-10-4-2-6-12(8-10)17(15,16)14-7-3-5-11(14)9-13;/h2,4,6,8,11H,3,5,7,9,13H2,1H3;1H
InChIKeySPANXWZBNYHGAR-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 119988615
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284408
[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 124695078

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 119988815) is [1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is Cc1cccc(S(=O)(=O)N2CCCC2CN)c1.Cl.
What is the InChIKey of [1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is SPANXWZBNYHGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-10-4-2-6-12(8-10)17(15,16)14-7-3-5-11(14)9-13;/h2,4,6,8,11H,3,5,7,9,13H2,1H3;1H.
What are the key properties of [1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119988815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).