[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

C13H24N2O4S — CID 62468441

IUPAC[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCCC1C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H24N2O4S/c1-20(18,19)15-9-3-7-12(15)13(17)14-8-2-5-11(14)6-4-10-16/h11-12,16H,2-10H2,1H3
InChIKeyLNXFJNQMJUEQFK-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.17
Rot. Bonds5

About [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 62468441) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
PubChem CID62468441
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCCC1C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H24N2O4S/c1-20(18,19)15-9-3-7-12(15)13(17)14-8-2-5-11(14)6-4-10-16/h11-12,16H,2-10H2,1H3
InChIKeyLNXFJNQMJUEQFK-UHFFFAOYSA-N
XLogP0.17
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone 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

cyclopropyl-[2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 62468618
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
2-(3-hydroxypropyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 62468298
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 62356591
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 114230556
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 62479213
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 60741388
(2-amino-6-methylcyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62781550
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 62480452

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (CID 62468441) is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is CS(=O)(=O)N1CCCC1C(=O)N1CCCC1CCCO.
What is the InChIKey of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is LNXFJNQMJUEQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-20(18,19)15-9-3-7-12(15)13(17)14-8-2-5-11(14)6-4-10-16/h11-12,16H,2-10H2,1H3.
What are the key properties of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 304.41 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 62468441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).