1-(benzenesulfonyl)-3,3-dimethylpyrrolidine

C12H17NO2S — CID 13427462

IUPAC1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C12H17NO2S/c1-12(2)8-9-13(10-12)16(14,15)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyQOODDDKWUVEYKJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.11
Rot. Bonds2

About 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine

1-(benzenesulfonyl)-3,3-dimethylpyrrolidine (PubChem CID 13427462) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
PubChem CID13427462
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
SMILESCC1(C)CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C12H17NO2S/c1-12(2)8-9-13(10-12)16(14,15)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyQOODDDKWUVEYKJ-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
3-(3,3-dimethylpyrrolidin-1-yl)sulfonylbenzenesulfonyl fluoride
CID 114791699
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62935826
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
5-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-2-fluoro-3-methylbenzoic acid
CID 81426701
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
1-(benzenesulfonyl)-2,5,5-trimethylpiperidine
CID 24799740

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine?
The IUPAC name of 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine (CID 13427462) is 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine?
The canonical SMILES for 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine is CC1(C)CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine?
The InChIKey is QOODDDKWUVEYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2)8-9-13(10-12)16(14,15)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine?
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine has a molecular weight of 239.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3,3-dimethylpyrrolidine is sourced from PubChem (CID 13427462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).