1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane

C8H17N3O2S — CID 35431036

IUPAC1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)CNS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C8H17N3O2S/c1-8(2)7-10-14(12,13)11(3)6-4-5-9/h8,10H,4,6-7H2,1-3H3
InChIKeyXXNWZHCJZBYIHU-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.32
Rot. Bonds6

About 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane

1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane (PubChem CID 35431036) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane.

Molecular Properties

Compound Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane
PubChem CID35431036
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)CNS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C8H17N3O2S/c1-8(2)7-10-14(12,13)11(3)6-4-5-9/h8,10H,4,6-7H2,1-3H3
InChIKeyXXNWZHCJZBYIHU-UHFFFAOYSA-N
XLogP0.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane?
The IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane (CID 35431036) is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane.
What is the SMILES notation for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane?
The canonical SMILES for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane is CC(C)CNS(=O)(=O)N(C)CCC#N.
What is the InChIKey of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane?
The InChIKey is XXNWZHCJZBYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-8(2)7-10-14(12,13)11(3)6-4-5-9/h8,10H,4,6-7H2,1-3H3.
What are the key properties of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane?
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane has a molecular weight of 219.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-methylpropane is sourced from PubChem (CID 35431036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).