N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide

C14H23N3O2S — CID 110103613

IUPACN,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1cc(CCC2CCCN2S(=O)(=O)N(C)C)ccn1
InChIInChI=1S/C14H23N3O2S/c1-12-11-13(8-9-15-12)6-7-14-5-4-10-17(14)20(18,19)16(2)3/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyWQSPSWYJPLOVGF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.59
Rot. Bonds5

About N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide

N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 110103613) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
PubChem CID110103613
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1cc(CCC2CCCN2S(=O)(=O)N(C)C)ccn1
InChIInChI=1S/C14H23N3O2S/c1-12-11-13(8-9-15-12)6-7-14-5-4-10-17(14)20(18,19)16(2)3/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyWQSPSWYJPLOVGF-UHFFFAOYSA-N
XLogP1.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95721516
2-methyl-4-[2-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
CID 124942258
[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 125004668
(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]methanone
CID 125018393
[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124994050
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110103609
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643
N-[4-[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124996167
6-methyl-4-[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carbonyl]-1H-pyrimidin-2-one
CID 124949646
3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]propan-1-one
CID 110103668
N,N-dimethyl-3-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 110258904
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]butan-1-one
CID 124940123

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide (CID 110103613) is N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide is Cc1cc(CCC2CCCN2S(=O)(=O)N(C)C)ccn1.
What is the InChIKey of N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is WQSPSWYJPLOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12-11-13(8-9-15-12)6-7-14-5-4-10-17(14)20(18,19)16(2)3/h8-9,11,14H,4-7,10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide?
N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110103613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).