(1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone

C14H19N3O3S — CID 56916054

IUPAC(1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCS(=O)(=O)N1CCCC1C(=O)N1CC(c2cccnc2)C1
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-7-3-5-13(17)14(18)16-9-12(10-16)11-4-2-6-15-8-11/h2,4,6,8,12-13H,3,5,7,9-10H2,1H3
InChIKeyNGKGJRXXRHFIAN-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.43
Rot. Bonds3

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

(1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone (PubChem CID 56916054) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is (1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
PubChem CID56916054
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name(1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCS(=O)(=O)N1CCCC1C(=O)N1CC(c2cccnc2)C1
InChIInChI=1S/C14H19N3O3S/c1-21(19,20)17-7-3-5-13(17)14(18)16-9-12(10-16)11-4-2-6-15-8-11/h2,4,6,8,12-13H,3,5,7,9-10H2,1H3
InChIKeyNGKGJRXXRHFIAN-UHFFFAOYSA-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-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91946978
2-[4-(3-pyridin-3-ylazetidine-1-carbonyl)piperidin-1-yl]acetamide
CID 70762081
3-(1-methylpiperidin-3-yl)pyridine
CID 118883076
3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
CID 70556127
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 56892222
2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 82127506
[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
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone
CID 100856759
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118774467

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The IUPAC name of (1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone (CID 56916054) is (1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone.
What is the SMILES notation for (1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The canonical SMILES for (1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone is CS(=O)(=O)N1CCCC1C(=O)N1CC(c2cccnc2)C1.
What is the InChIKey of (1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The InChIKey is NGKGJRXXRHFIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-21(19,20)17-7-3-5-13(17)14(18)16-9-12(10-16)11-4-2-6-15-8-11/h2,4,6,8,12-13H,3,5,7,9-10H2,1H3.
What are the key properties of (1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
(1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-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 (1-methylsulfonylpyrrolidin-2-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone is sourced from PubChem (CID 56916054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).