[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide

C14H21N5O3S — CID 168681810

IUPAC[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H21N5O3S/c15-23(21,22)10-11-8-13(20)19(9-11)12-2-6-18(7-3-12)14-16-4-1-5-17-14/h1,4-5,11-12H,2-3,6-10H2,(H2,15,21,22)
InChIKeyMVCRIBSLZBKFAU-UHFFFAOYSA-N
MW339.42 g/mol
LogP-0.42
Rot. Bonds4

About [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681810) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168681810
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H21N5O3S/c15-23(21,22)10-11-8-13(20)19(9-11)12-2-6-18(7-3-12)14-16-4-1-5-17-14/h1,4-5,11-12H,2-3,6-10H2,(H2,15,21,22)
InChIKeyMVCRIBSLZBKFAU-UHFFFAOYSA-N
XLogP-0.42
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide 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

5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride
CID 168712009
4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 168658935
[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680639
1-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
CID 126900004
[1-(2-hydroxycyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680137
[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680507
[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125179745
tert-butyl 3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168680158
(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683303
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide (CID 168681810) is [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MVCRIBSLZBKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c15-23(21,22)10-11-8-13(20)19(9-11)12-2-6-18(7-3-12)14-16-4-1-5-17-14/h1,4-5,11-12H,2-3,6-10H2,(H2,15,21,22).
What are the key properties of [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 339.42 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).