1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine

C14H21NO2S — CID 778269

IUPAC1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12(2)11-13-5-7-14(8-6-13)18(16,17)15-9-3-4-10-15/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyKKGAYVJTSWRPMS-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine

1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine (PubChem CID 778269) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
PubChem CID778269
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12(2)11-13-5-7-14(8-6-13)18(16,17)15-9-3-4-10-15/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyKKGAYVJTSWRPMS-UHFFFAOYSA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 19684674
2-methyl-1-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796956
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832
[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 34052568
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(4-nitrophenyl)piperazine
CID 2942834
1-(4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 146051612
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 17301208
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684719
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
CID 735445
1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22207993

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine (CID 778269) is 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine is CC(C)Cc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine?
The InChIKey is KKGAYVJTSWRPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12(2)11-13-5-7-14(8-6-13)18(16,17)15-9-3-4-10-15/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine?
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 778269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).