(3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone

C12H16N2O3S — CID 144535011

IUPAC(3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone
SMILESCC1CCN(C(=O)c2cncc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C12H16N2O3S/c1-9-3-4-14(8-9)12(15)10-5-11(7-13-6-10)18(2,16)17/h5-7,9H,3-4,8H2,1-2H3
InChIKeyZYPOOMNAABUBBL-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.97
Rot. Bonds2

About (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone

(3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone (PubChem CID 144535011) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone
PubChem CID144535011
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone
SMILESCC1CCN(C(=O)c2cncc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C12H16N2O3S/c1-9-3-4-14(8-9)12(15)10-5-11(7-13-6-10)18(2,16)17/h5-7,9H,3-4,8H2,1-2H3
InChIKeyZYPOOMNAABUBBL-UHFFFAOYSA-N
XLogP0.97
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-pyridinyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586983
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
2,3-dimethyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372321
(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223439
(3-amino-5-methylsulfonylphenyl)-(4-methylazepan-1-yl)methanone
CID 63623305
3-(3-methylpyrrolidine-1-carbonyl)-5-nitrobenzenesulfonamide
CID 65388778
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
methyl 5-methylsulfonylpyridine-3-carboxylate
CID 23436925
(2R)-4-(difluoromethyl)-1-(5-methylsulfonylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 175925279
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109106627

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone (CID 144535011) is (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone is CC1CCN(C(=O)c2cncc(S(C)(=O)=O)c2)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone?
The InChIKey is ZYPOOMNAABUBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-9-3-4-14(8-9)12(15)10-5-11(7-13-6-10)18(2,16)17/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone?
(3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone has a molecular weight of 268.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-(5-methylsulfonyl-3-pyridinyl)methanone is sourced from PubChem (CID 144535011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).