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

C12H19ClN2O3S — CID 119972182

IUPAC[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccccc1S(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-17-11-4-2-3-5-12(11)18(15,16)14-7-6-10(8-13)9-14;/h2-5,10H,6-9,13H2,1H3;1H
InChIKeyHXWPNDVJAILWDW-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.09
Rot. Bonds4

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

[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119972182) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119972182
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccccc1S(=O)(=O)N1CCC(CN)C1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-17-11-4-2-3-5-12(11)18(15,16)14-7-6-10(8-13)9-14;/h2-5,10H,6-9,13H2,1H3;1H
InChIKeyHXWPNDVJAILWDW-UHFFFAOYSA-N
XLogP1.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960870
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
CID 81458430
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972086
[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963757
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969009
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 119972182) is [1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is COc1ccccc1S(=O)(=O)N1CCC(CN)C1.Cl.
What is the InChIKey of [1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is HXWPNDVJAILWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-17-11-4-2-3-5-12(11)18(15,16)14-7-6-10(8-13)9-14;/h2-5,10H,6-9,13H2,1H3;1H.
What are the key properties of [1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119972182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).