[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine

C15H24N2O2S — CID 115312453

IUPAC[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC2CN)cc1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)12-6-8-14(9-7-12)20(18,19)17-10-4-5-13(17)11-16/h6-9,13H,4-5,10-11,16H2,1-3H3
InChIKeyIPLCIBPBDCRNJM-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.10
Rot. Bonds3

About [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine

[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 115312453) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID115312453
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC2CN)cc1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)12-6-8-14(9-7-12)20(18,19)17-10-4-5-13(17)11-16/h6-9,13H,4-5,10-11,16H2,1-3H3
InChIKeyIPLCIBPBDCRNJM-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 115312365
2-(benzenesulfonylmethyl)-1-(4-tert-butylphenyl)sulfonylpyrrolidine
CID 90585750
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284421
[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 86814097
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988531
ethyl 4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 115312454
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 115312453) is [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine is CC(C)(C)c1ccc(S(=O)(=O)N2CCCC2CN)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is IPLCIBPBDCRNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)12-6-8-14(9-7-12)20(18,19)17-10-4-5-13(17)11-16/h6-9,13H,4-5,10-11,16H2,1-3H3.
What are the key properties of [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115312453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).