[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

C14H23ClN2O3S — CID 119971933

IUPAC[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(CN)C2)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-2-9-19-13-3-5-14(6-4-13)20(17,18)16-8-7-12(10-15)11-16;/h3-6,12H,2,7-11,15H2,1H3;1H
InChIKeyGKSJBVYWDDLBIR-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.87
Rot. Bonds6

About [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119971933) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119971933
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(CN)C2)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-2-9-19-13-3-5-14(6-4-13)20(17,18)16-8-7-12(10-15)11-16;/h3-6,12H,2,7-11,15H2,1H3;1H
InChIKeyGKSJBVYWDDLBIR-UHFFFAOYSA-N
XLogP1.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972213
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962827
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176

Frequently Asked Questions

What is the IUPAC name of [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 119971933) is [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is CCCOc1ccc(S(=O)(=O)N2CCC(CN)C2)cc1.Cl.
What is the InChIKey of [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is GKSJBVYWDDLBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-2-9-19-13-3-5-14(6-4-13)20(17,18)16-8-7-12(10-15)11-16;/h3-6,12H,2,7-11,15H2,1H3;1H.
What are the key properties of [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119971933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).