[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone

C14H19N3O3S — CID 95729485

IUPAC[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(c2ccccn2)C1
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-8-4-6-13(17)14(18)16-9-11(10-16)12-5-2-3-7-15-12/h2-3,5,7,11,13H,4,6,8-10H2,1H3/t13-/m0/s1
InChIKeyCLWBCRXCNRQRON-ZDUSSCGKSA-N
MW309.39 g/mol
LogP0.43
Rot. Bonds3

About [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone

[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone (PubChem CID 95729485) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
PubChem CID95729485
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
SMILESCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(c2ccccn2)C1
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-8-4-6-13(17)14(18)16-9-11(10-16)12-5-2-3-7-15-12/h2-3,5,7,11,13H,4,6,8-10H2,1H3/t13-/m0/s1
InChIKeyCLWBCRXCNRQRON-ZDUSSCGKSA-N
XLogP0.43
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 56916054
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91946978
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 51241050
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95606419
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
(2S)-1-methylsulfonyl-N-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 118792152
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118774467
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
[4-(4-chlorophenyl)piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 110281486
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone
CID 139202492
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 79030040

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The IUPAC name of [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone (CID 95729485) is [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The canonical SMILES for [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone is CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(c2ccccn2)C1.
What is the InChIKey of [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
The InChIKey is CLWBCRXCNRQRON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-21(19,20)17-8-4-6-13(17)14(18)16-9-11(10-16)12-5-2-3-7-15-12/h2-3,5,7,11,13H,4,6,8-10H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone?
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone has a molecular weight of 309.39 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 95729485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).