4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine

C17H21N3O2S — CID 127246771

IUPAC4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1cc(C2CCCN2S(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C17H21N3O2S/c1-19(2)17-13-14(10-11-18-17)16-9-6-12-20(16)23(21,22)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3
InChIKeyQGVBOZPEWVHELR-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.67
Rot. Bonds4

About 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine

4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 127246771) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID127246771
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1cc(C2CCCN2S(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C17H21N3O2S/c1-19(2)17-13-14(10-11-18-17)16-9-6-12-20(16)23(21,22)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3
InChIKeyQGVBOZPEWVHELR-UHFFFAOYSA-N
XLogP2.67
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313
1-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 124980402
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone
CID 124999262
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
1-[4-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 125005812
4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92575438
(4-benzyloxan-4-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110148802
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine (CID 127246771) is 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1cc(C2CCCN2S(=O)(=O)c2ccccc2)ccn1.
What is the InChIKey of 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is QGVBOZPEWVHELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19(2)17-13-14(10-11-18-17)16-9-6-12-20(16)23(21,22)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3.
What are the key properties of 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine?
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 331.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 127246771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).