2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide

C10H20N4O3S — CID 86928405

IUPAC2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C10H20N4O3S/c1-9(2)12-10(15)8-14(4)18(16,17)13(3)7-5-6-11/h9H,5,7-8H2,1-4H3,(H,12,15)
InChIKeyYAKUJWASUPDFLI-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.47
Rot. Bonds7

About 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 86928405) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID86928405
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C10H20N4O3S/c1-9(2)12-10(15)8-14(4)18(16,17)13(3)7-5-6-11/h9H,5,7-8H2,1-4H3,(H,12,15)
InChIKeyYAKUJWASUPDFLI-UHFFFAOYSA-N
XLogP-0.47
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide
CID 86979758
2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60677035
2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
CID 55208590
2-[4-chlorobutylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
CID 116815240
3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile
CID 134043668
2-[(3-chloro-4-cyanophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 115582147
3-[2-oxopropyl(propan-2-yl)amino]propanenitrile
CID 62036211
2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65493215
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide (CID 86928405) is 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)N(C)CCC#N.
What is the InChIKey of 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is YAKUJWASUPDFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-9(2)12-10(15)8-14(4)18(16,17)13(3)7-5-6-11/h9H,5,7-8H2,1-4H3,(H,12,15).
What are the key properties of 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 276.36 g/mol, XLogP of -0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 86928405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).