4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide

C8H19N3O3S — CID 106336956

IUPAC4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide
SMILESCNS(=O)(=O)CCNC(=O)CCC(C)N
InChIInChI=1S/C8H19N3O3S/c1-7(9)3-4-8(12)11-5-6-15(13,14)10-2/h7,10H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyJNAWCSPETPEEEV-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.22
Rot. Bonds7

About 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide

4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide (PubChem CID 106336956) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide
PubChem CID106336956
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide
SMILESCNS(=O)(=O)CCNC(=O)CCC(C)N
InChIInChI=1S/C8H19N3O3S/c1-7(9)3-4-8(12)11-5-6-15(13,14)10-2/h7,10H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyJNAWCSPETPEEEV-UHFFFAOYSA-N
XLogP-1.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide (CID 106336956) is 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide is CNS(=O)(=O)CCNC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide?
The InChIKey is JNAWCSPETPEEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-7(9)3-4-8(12)11-5-6-15(13,14)10-2/h7,10H,3-6,9H2,1-2H3,(H,11,12).
What are the key properties of 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide?
4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide has a molecular weight of 237.32 g/mol, XLogP of -1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide is sourced from PubChem (CID 106336956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).