(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C10H19N3O4S — CID 54869715

IUPAC(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C10H19N3O4S/c1-18(16,17)13-4-2-12(3-5-13)10(15)9-6-8(14)7-11-9/h8-9,11,14H,2-7H2,1H3
InChIKeyYWIAFHRWBMYARA-UHFFFAOYSA-N
MW277.35 g/mol
LogP-2.19
Rot. Bonds2

About (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 54869715) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID54869715
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C10H19N3O4S/c1-18(16,17)13-4-2-12(3-5-13)10(15)9-6-8(14)7-11-9/h8-9,11,14H,2-7H2,1H3
InChIKeyYWIAFHRWBMYARA-UHFFFAOYSA-N
XLogP-2.19
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-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

azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62311887
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
(4-cyclopentyl-1,4-diazepan-1-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 91603121
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 154914601
2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119875939
(3,4-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119791817
(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61261071
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54873709
(3-hydroxy-3-methylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219224

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 54869715) is (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)C2CC(O)CN2)CC1.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is YWIAFHRWBMYARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-18(16,17)13-4-2-12(3-5-13)10(15)9-6-8(14)7-11-9/h8-9,11,14H,2-7H2,1H3.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 277.35 g/mol, XLogP of -2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 54869715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).