propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate

C10H13N5O4S — CID 110192670

IUPACpropan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate
SMILESCc1ncc(C#N)c(NS(=O)(=O)NC(=O)OC(C)C)n1
InChIInChI=1S/C10H13N5O4S/c1-6(2)19-10(16)15-20(17,18)14-9-8(4-11)5-12-7(3)13-9/h5-6H,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyLDBKCZOQFOGPAB-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.45
Rot. Bonds4

About propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate

propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate (PubChem CID 110192670) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate
PubChem CID110192670
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Namepropan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate
SMILESCc1ncc(C#N)c(NS(=O)(=O)NC(=O)OC(C)C)n1
InChIInChI=1S/C10H13N5O4S/c1-6(2)19-10(16)15-20(17,18)14-9-8(4-11)5-12-7(3)13-9/h5-6H,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyLDBKCZOQFOGPAB-UHFFFAOYSA-N
XLogP0.45
TPSA134.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate (CID 110192670) is propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate is Cc1ncc(C#N)c(NS(=O)(=O)NC(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate?
The InChIKey is LDBKCZOQFOGPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-6(2)19-10(16)15-20(17,18)14-9-8(4-11)5-12-7(3)13-9/h5-6H,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate?
propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate has a molecular weight of 299.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate is sourced from PubChem (CID 110192670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).