3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C11H18N2O4S — CID 167748482

IUPAC3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCS(=O)(=O)CC1CCN(C(=O)C2CCNC2=O)C1
InChIInChI=1S/C11H18N2O4S/c1-18(16,17)7-8-3-5-13(6-8)11(15)9-2-4-12-10(9)14/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyDYYGHKTXKXNCFF-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.98
Rot. Bonds3

About 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 167748482) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID167748482
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCS(=O)(=O)CC1CCN(C(=O)C2CCNC2=O)C1
InChIInChI=1S/C11H18N2O4S/c1-18(16,17)7-8-3-5-13(6-8)11(15)9-2-4-12-10(9)14/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyDYYGHKTXKXNCFF-UHFFFAOYSA-N
XLogP-0.98
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(methylsulfonylmethyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 154910982
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017
4-[2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 146125893
(3-ethylpyrrolidin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102780010
N-cyclopropyl-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 146083111
(3S,6R)-3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(trifluoromethyl)piperidin-2-one
CID 124610953
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
1-(2-oxopyrrolidin-3-yl)ethenesulfonamide
CID 87937102
1-(3-ethylpyrrolidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 113253976
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97283001
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 167915980

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 167748482) is 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is CS(=O)(=O)CC1CCN(C(=O)C2CCNC2=O)C1.
What is the InChIKey of 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DYYGHKTXKXNCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-18(16,17)7-8-3-5-13(6-8)11(15)9-2-4-12-10(9)14/h8-9H,2-7H2,1H3,(H,12,14).
What are the key properties of 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 274.34 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 167748482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).