1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

C15H16N4O4S — CID 121398349

IUPAC1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(CC#N)c1=O
InChIInChI=1S/C15H16N4O4S/c1-15(5-6-15)17-24(22,23)10-3-4-12-11(9-10)13(20)18(2)14(21)19(12)8-7-16/h3-4,9,17H,5-6,8H2,1-2H3
InChIKeyWWSYCTSPERXPHS-UHFFFAOYSA-N
MW348.38 g/mol
LogP0.05
Rot. Bonds4

About 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 121398349) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID121398349
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(CC#N)c1=O
InChIInChI=1S/C15H16N4O4S/c1-15(5-6-15)17-24(22,23)10-3-4-12-11(9-10)13(20)18(2)14(21)19(12)8-7-16/h3-4,9,17H,5-6,8H2,1-2H3
InChIKeyWWSYCTSPERXPHS-UHFFFAOYSA-N
XLogP0.05
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (CID 121398349) is 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(CC#N)c1=O.
What is the InChIKey of 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is WWSYCTSPERXPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-15(5-6-15)17-24(22,23)10-3-4-12-11(9-10)13(20)18(2)14(21)19(12)8-7-16/h3-4,9,17H,5-6,8H2,1-2H3.
What are the key properties of 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 348.38 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 121398349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).