N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C9H13N3O4S — CID 7543059

IUPACN-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4S/c13-8-7(5-10-9(14)11-8)17(15,16)12-6-3-1-2-4-6/h5-6,12H,1-4H2,(H2,10,11,13,14)
InChIKeyXVYQQXPWQYXGOE-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.72
Rot. Bonds3

About N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7543059) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7543059
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC NameN-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4S/c13-8-7(5-10-9(14)11-8)17(15,16)12-6-3-1-2-4-6/h5-6,12H,1-4H2,(H2,10,11,13,14)
InChIKeyXVYQQXPWQYXGOE-UHFFFAOYSA-N
XLogP-0.72
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7543059) is N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)NC2CCCC2)c(=O)[nH]1.
What is the InChIKey of N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is XVYQQXPWQYXGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c13-8-7(5-10-9(14)11-8)17(15,16)12-6-3-1-2-4-6/h5-6,12H,1-4H2,(H2,10,11,13,14).
What are the key properties of N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 259.29 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7543059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).