4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid

C10H22N2O4S — CID 55097859

IUPAC4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
SMILESCC(C)N(C)CCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-9(2)12(3)7-6-11-17(15,16)8-4-5-10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyVPAHJEAKEOOVDM-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.11
Rot. Bonds9

About 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid

4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid (PubChem CID 55097859) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
PubChem CID55097859
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
SMILESCC(C)N(C)CCNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-9(2)12(3)7-6-11-17(15,16)8-4-5-10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)
InChIKeyVPAHJEAKEOOVDM-UHFFFAOYSA-N
XLogP0.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid 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-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid?
The IUPAC name of 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid (CID 55097859) is 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid is CC(C)N(C)CCNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid?
The InChIKey is VPAHJEAKEOOVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-9(2)12(3)7-6-11-17(15,16)8-4-5-10(13)14/h9,11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid?
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 55097859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).