2-[(diethylsulfamoylamino)methyl]butanoic acid

C9H20N2O4S — CID 65222689

IUPAC2-[(diethylsulfamoylamino)methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)N(CC)CC)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-8(9(12)13)7-10-16(14,15)11(5-2)6-3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyXNFWXOKXTFYTCL-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.27
Rot. Bonds8

About 2-[(diethylsulfamoylamino)methyl]butanoic acid

2-[(diethylsulfamoylamino)methyl]butanoic acid (PubChem CID 65222689) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[(diethylsulfamoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(diethylsulfamoylamino)methyl]butanoic acid
PubChem CID65222689
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-[(diethylsulfamoylamino)methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)N(CC)CC)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-8(9(12)13)7-10-16(14,15)11(5-2)6-3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyXNFWXOKXTFYTCL-UHFFFAOYSA-N
XLogP0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(diethylsulfamoylamino)methyl]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 2-[(diethylsulfamoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(diethylsulfamoylamino)methyl]butanoic acid (CID 65222689) is 2-[(diethylsulfamoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(diethylsulfamoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(diethylsulfamoylamino)methyl]butanoic acid is CCC(CNS(=O)(=O)N(CC)CC)C(=O)O.
What is the InChIKey of 2-[(diethylsulfamoylamino)methyl]butanoic acid?
The InChIKey is XNFWXOKXTFYTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-8(9(12)13)7-10-16(14,15)11(5-2)6-3/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-[(diethylsulfamoylamino)methyl]butanoic acid?
2-[(diethylsulfamoylamino)methyl]butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(diethylsulfamoylamino)methyl]butanoic acid is sourced from PubChem (CID 65222689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).