[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C14H23ClN2O2S — CID 119988891

IUPAC[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC2CN)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11(2)12-5-7-14(8-6-12)19(17,18)16-9-3-4-13(16)10-15;/h5-8,11,13H,3-4,9-10,15H2,1-2H3;1H
InChIKeyWMROJMYKAZWOCC-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.34
Rot. Bonds4

About [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119988891) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119988891
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC2CN)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11(2)12-5-7-14(8-6-12)19(17,18)16-9-3-4-13(16)10-15;/h5-8,11,13H,3-4,9-10,15H2,1-2H3;1H
InChIKeyWMROJMYKAZWOCC-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 97325791
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103441467
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 86814097
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
[1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988531
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284421
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815

Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 119988891) is [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is CC(C)c1ccc(S(=O)(=O)N2CCCC2CN)cc1.Cl.
What is the InChIKey of [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is WMROJMYKAZWOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-11(2)12-5-7-14(8-6-12)19(17,18)16-9-3-4-13(16)10-15;/h5-8,11,13H,3-4,9-10,15H2,1-2H3;1H.
What are the key properties of [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119988891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).