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

C9H22N4O3S — CID 54952297

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H22N4O3S/c1-4-11-9(14)8(2)12-17(15,16)13(3)7-5-6-10/h8,12H,4-7,10H2,1-3H3,(H,11,14)
InChIKeyUPGQPEAOTGHWIH-UHFFFAOYSA-N
MW266.37 g/mol
LogP-1.37
Rot. Bonds8

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

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide (PubChem CID 54952297) 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-ethylpropanamide.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide
PubChem CID54952297
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H22N4O3S/c1-4-11-9(14)8(2)12-17(15,16)13(3)7-5-6-10/h8,12H,4-7,10H2,1-3H3,(H,11,14)
InChIKeyUPGQPEAOTGHWIH-UHFFFAOYSA-N
XLogP-1.37
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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

Analyze 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminopropylsulfonylamino)-N-ethylpropanamide
CID 61480140
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylacetamide
CID 61456716
2-[[3-aminopropyl(methyl)sulfamoyl]amino]pentane
CID 61456420
2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
CID 62200403
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane
CID 61456363
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-propylacetamide
CID 54952091
1-(3-aminopropyl)-3-ethyl-1-methylurea
CID 43164859
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
4-amino-2-[[butyl(methyl)sulfamoyl]amino]-4-oxobutanoic acid
CID 43169485
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
CID 103106859
2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
CID 113406861

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide (CID 54952297) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide?
The InChIKey is UPGQPEAOTGHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-4-11-9(14)8(2)12-17(15,16)13(3)7-5-6-10/h8,12H,4-7,10H2,1-3H3,(H,11,14).
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide has a molecular weight of 266.37 g/mol, XLogP of -1.37, 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-ethylpropanamide is sourced from PubChem (CID 54952297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).