N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide

C14H22N4O3S — CID 136571241

IUPACN-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCC(C)c1cc(=O)[nH]c(N2CCC(NS(=O)(=O)C3CC3)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-9(2)12-7-13(19)16-14(15-12)18-6-5-10(8-18)17-22(20,21)11-3-4-11/h7,9-11,17H,3-6,8H2,1-2H3,(H,15,16,19)
InChIKeyUBRUMMNGYAUFLA-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.55
Rot. Bonds5

About N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide

N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide (PubChem CID 136571241) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide
PubChem CID136571241
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCC(C)c1cc(=O)[nH]c(N2CCC(NS(=O)(=O)C3CC3)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-9(2)12-7-13(19)16-14(15-12)18-6-5-10(8-18)17-22(20,21)11-3-4-11/h7,9-11,17H,3-6,8H2,1-2H3,(H,15,16,19)
InChIKeyUBRUMMNGYAUFLA-UHFFFAOYSA-N
XLogP0.55
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide (CID 136571241) is N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide is CC(C)c1cc(=O)[nH]c(N2CCC(NS(=O)(=O)C3CC3)C2)n1.
What is the InChIKey of N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide?
The InChIKey is UBRUMMNGYAUFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-9(2)12-7-13(19)16-14(15-12)18-6-5-10(8-18)17-22(20,21)11-3-4-11/h7,9-11,17H,3-6,8H2,1-2H3,(H,15,16,19).
What are the key properties of N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide?
N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 136571241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).