[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine

C14H22N2O2S — CID 97325791

IUPAC[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCC(C)c1cccc(S(=O)(=O)N2CCC[C@H]2CN)c1
InChIInChI=1S/C14H22N2O2S/c1-11(2)12-5-3-7-14(9-12)19(17,18)16-8-4-6-13(16)10-15/h3,5,7,9,11,13H,4,6,8,10,15H2,1-2H3/t13-/m0/s1
InChIKeySOQCXHFZWMXDTO-ZDUSSCGKSA-N
MW282.41 g/mol
LogP1.92
Rot. Bonds4

About [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine

[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 97325791) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID97325791
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCC(C)c1cccc(S(=O)(=O)N2CCC[C@H]2CN)c1
InChIInChI=1S/C14H22N2O2S/c1-11(2)12-5-3-7-14(9-12)19(17,18)16-8-4-6-13(16)10-15/h3,5,7,9,11,13H,4,6,8,10,15H2,1-2H3/t13-/m0/s1
InChIKeySOQCXHFZWMXDTO-ZDUSSCGKSA-N
XLogP1.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[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-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284408
[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 61409691
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
[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-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 97325791) is [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine is CC(C)c1cccc(S(=O)(=O)N2CCC[C@H]2CN)c1.
What is the InChIKey of [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is SOQCXHFZWMXDTO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)12-5-3-7-14(9-12)19(17,18)16-8-4-6-13(16)10-15/h3,5,7,9,11,13H,4,6,8,10,15H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
[(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 97325791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).