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

C8H20N4O3S — CID 61456716

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C8H20N4O3S/c1-3-10-8(13)7-11-16(14,15)12(2)6-4-5-9/h11H,3-7,9H2,1-2H3,(H,10,13)
InChIKeyDBJILWKWZIFQAM-UHFFFAOYSA-N
MW252.34 g/mol
LogP-1.76
Rot. Bonds8

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

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide (PubChem CID 61456716) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide
PubChem CID61456716
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)N(C)CCCN
InChIInChI=1S/C8H20N4O3S/c1-3-10-8(13)7-11-16(14,15)12(2)6-4-5-9/h11H,3-7,9H2,1-2H3,(H,10,13)
InChIKeyDBJILWKWZIFQAM-UHFFFAOYSA-N
XLogP-1.76
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
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]amino]-N-ethylpropanamide
CID 54952297
1-(3-aminopropyl)-3-ethyl-1-methylurea
CID 43164859
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide
CID 54952205
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
CID 113405032
2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopentane
CID 54952302
2-[[3-aminopropyl(methyl)sulfamoyl]amino]pentane
CID 61456420
N-[3-[3-aminopropyl(methyl)amino]propyl]propanamide
CID 59112854
1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 55142284
2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
CID 62200403
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane
CID 114142567
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
CID 54952251

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide (CID 61456716) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide is CCNC(=O)CNS(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide?
The InChIKey is DBJILWKWZIFQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-3-10-8(13)7-11-16(14,15)12(2)6-4-5-9/h11H,3-7,9H2,1-2H3,(H,10,13).
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide has a molecular weight of 252.34 g/mol, XLogP of -1.76, 8 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-ethylacetamide is sourced from PubChem (CID 61456716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).