(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine

C12H18N2O2S — CID 141202657

IUPAC(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C12H18N2O2S/c1-13(2)11-8-9-14(10-11)17(15,16)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3/t11-/m0/s1
InChIKeyAKOUYNQSJOEWFS-NSHDSACASA-N
MW254.35 g/mol
LogP1.01
Rot. Bonds3

About (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine

(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 141202657) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID141202657
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C12H18N2O2S/c1-13(2)11-8-9-14(10-11)17(15,16)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3/t11-/m0/s1
InChIKeyAKOUYNQSJOEWFS-NSHDSACASA-N
XLogP1.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 63222011
4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 63515136
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2-bromo-5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 63164658
N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 26326227
1-(benzenesulfonyl)-3-bromo-4-methylpiperidine
CID 102962655
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 55158021
4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-2H-isoquinolin-1-one
CID 11950765
1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine
CID 134383141
1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 143369481
N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine
CID 43586342

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine (CID 141202657) is (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@H]1CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is AKOUYNQSJOEWFS-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-13(2)11-8-9-14(10-11)17(15,16)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 254.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 141202657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).