[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C12H19ClN2O2S — CID 120777513

IUPAC[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(S(=O)(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-12(9-13)7-8-14(10-12)17(15,16)11-5-3-2-4-6-11;/h2-6H,7-10,13H2,1H3;1H
InChIKeyVZHXPFCSDJCGLF-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.47
Rot. Bonds3

About [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120777513) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120777513
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(S(=O)(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-12(9-13)7-8-14(10-12)17(15,16)11-5-3-2-4-6-11;/h2-6H,7-10,13H2,1H3;1H
InChIKeyVZHXPFCSDJCGLF-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120777513) is [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(S(=O)(=O)c2ccccc2)C1.Cl.
What is the InChIKey of [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is VZHXPFCSDJCGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-12(9-13)7-8-14(10-12)17(15,16)11-5-3-2-4-6-11;/h2-6H,7-10,13H2,1H3;1H.
What are the key properties of [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120777513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).