N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C12H16N4O4S — CID 62963079

IUPACN-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCC2C#N)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N4O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-4-8(9)6-13/h7-9,14H,3-5H2,1-2H3
InChIKeyZNBSDFUROSNLJK-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.95
Rot. Bonds3

About N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 62963079) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID62963079
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC NameN-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCC2C#N)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N4O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-4-8(9)6-13/h7-9,14H,3-5H2,1-2H3
InChIKeyZNBSDFUROSNLJK-UHFFFAOYSA-N
XLogP-0.95
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 62963079) is N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCC2C#N)c(=O)n(C)c1=O.
What is the InChIKey of N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is ZNBSDFUROSNLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-15-7-10(11(17)16(2)12(15)18)21(19,20)14-9-5-3-4-8(9)6-13/h7-9,14H,3-5H2,1-2H3.
What are the key properties of N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 312.35 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 62963079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).