[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C12H17N3O3S2 — CID 118767416

IUPAC[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCSc1ncccc1C(=O)N1CCC(CS(N)(=O)=O)C1
InChIInChI=1S/C12H17N3O3S2/c1-19-11-10(3-2-5-14-11)12(16)15-6-4-9(7-15)8-20(13,17)18/h2-3,5,9H,4,6-8H2,1H3,(H2,13,17,18)
InChIKeyGMOJTMSNIBNMOW-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.55
Rot. Bonds4

About [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide

[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 118767416) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID118767416
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCSc1ncccc1C(=O)N1CCC(CS(N)(=O)=O)C1
InChIInChI=1S/C12H17N3O3S2/c1-19-11-10(3-2-5-14-11)12(16)15-6-4-9(7-15)8-20(13,17)18/h2-3,5,9H,4,6-8H2,1H3,(H2,13,17,18)
InChIKeyGMOJTMSNIBNMOW-UHFFFAOYSA-N
XLogP0.55
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414904
2-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79614868
[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 86286766
methyl 2-[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264233
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
ethyl (3R)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 81338802
[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 129417980
[(3S,4S)-3-(hydroxymethyl)-4-[(4-hydroxypiperidin-1-yl)methyl]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 133132672
[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 146042324
[1-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 137340590
1-(4-ethylpiperazin-1-yl)-3-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]propan-1-one
CID 29152168
[(3S)-1-(2-chloro-4,5-difluorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 125173276

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 118767416) is [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is CSc1ncccc1C(=O)N1CCC(CS(N)(=O)=O)C1.
What is the InChIKey of [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is GMOJTMSNIBNMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-19-11-10(3-2-5-14-11)12(16)15-6-4-9(7-15)8-20(13,17)18/h2-3,5,9H,4,6-8H2,1H3,(H2,13,17,18).
What are the key properties of [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 118767416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).