2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide

C9H22N4O3S — CID 54952091

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H22N4O3S/c1-3-6-11-9(14)8-12-17(15,16)13(2)7-4-5-10/h12H,3-8,10H2,1-2H3,(H,11,14)
InChIKeyZKYNKCUXLCYJDF-UHFFFAOYSA-N
MW266.37 g/mol
LogP-1.37
Rot. Bonds9

About 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide (PubChem CID 54952091) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide
PubChem CID54952091
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H22N4O3S/c1-3-6-11-9(14)8-12-17(15,16)13(2)7-4-5-10/h12H,3-8,10H2,1-2H3,(H,11,14)
InChIKeyZKYNKCUXLCYJDF-UHFFFAOYSA-N
XLogP-1.37
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide
CID 61456716
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide
CID 54952205
N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
CID 113405032
N-[3-[3-aminopropyl(methyl)amino]propyl]propanamide
CID 59112854
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide
CID 54952297
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopentane
CID 54952302
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
2-[[3-aminopropyl(methyl)sulfamoyl]amino]pentane
CID 61456420
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid
CID 43567410

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide (CID 54952091) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide?
The InChIKey is ZKYNKCUXLCYJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-3-6-11-9(14)8-12-17(15,16)13(2)7-4-5-10/h12H,3-8,10H2,1-2H3,(H,11,14).
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide has a molecular weight of 266.37 g/mol, XLogP of -1.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide is sourced from PubChem (CID 54952091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).