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

C10H24N4O3S — CID 54952205

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H24N4O3S/c1-4-7-12-10(15)9-14(3)18(16,17)13(2)8-5-6-11/h4-9,11H2,1-3H3,(H,12,15)
InChIKeyHQNKHEVTUFKCDH-UHFFFAOYSA-N
MW280.39 g/mol
LogP-1.03
Rot. Bonds9

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

2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide (PubChem CID 54952205) has the molecular formula C10H24N4O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide
PubChem CID54952205
Molecular FormulaC10H24N4O3S
Molecular Weight280.39 g/mol
Exact Mass280.16
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H24N4O3S/c1-4-7-12-10(15)9-14(3)18(16,17)13(2)8-5-6-11/h4-9,11H2,1-3H3,(H,12,15)
InChIKeyHQNKHEVTUFKCDH-UHFFFAOYSA-N
XLogP-1.03
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide
CID 54952091
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide
CID 54952507
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-diethylacetamide
CID 61456794
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 61457074
3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid
CID 60952620
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide
CID 61456716
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
N-[3-[3-aminopropyl(methyl)amino]propyl]propanamide
CID 59112854
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[ethylsulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119431251

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide (CID 54952205) is 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide?
The InChIKey is HQNKHEVTUFKCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3S/c1-4-7-12-10(15)9-14(3)18(16,17)13(2)8-5-6-11/h4-9,11H2,1-3H3,(H,12,15).
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide?
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide has a molecular weight of 280.39 g/mol, XLogP of -1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 54952205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).