N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide

C11H12N4O4S — CID 165416242

IUPACN-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CC1
InChIInChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17)
InChIKeyCSGYXQGPYNFEFB-UHFFFAOYSA-N
MW296.31 g/mol
LogP-0.56
Rot. Bonds3

About N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide

N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 165416242) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
PubChem CID165416242
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC NameN-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CC1
InChIInChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17)
InChIKeyCSGYXQGPYNFEFB-UHFFFAOYSA-N
XLogP-0.56
TPSA124.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide (CID 165416242) is N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide is CC1(NS(=O)(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is CSGYXQGPYNFEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17).
What are the key properties of N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 296.31 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 165416242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).