2-[bis(3-methylbutyl)sulfamoyl]acetic acid

C12H25NO4S — CID 60950660

IUPAC2-[bis(3-methylbutyl)sulfamoyl]acetic acid
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C12H25NO4S/c1-10(2)5-7-13(8-6-11(3)4)18(16,17)9-12(14)15/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyOZLNOEYNWVJAGH-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.79
Rot. Bonds9

About 2-[bis(3-methylbutyl)sulfamoyl]acetic acid

2-[bis(3-methylbutyl)sulfamoyl]acetic acid (PubChem CID 60950660) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[bis(3-methylbutyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[bis(3-methylbutyl)sulfamoyl]acetic acid
PubChem CID60950660
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name2-[bis(3-methylbutyl)sulfamoyl]acetic acid
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C12H25NO4S/c1-10(2)5-7-13(8-6-11(3)4)18(16,17)9-12(14)15/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyOZLNOEYNWVJAGH-UHFFFAOYSA-N
XLogP1.79
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[bis(3-methylbutyl)sulfamoyl]acetic acid 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-[(2-amino-2-oxoethyl)-(2-methylpropyl)sulfamoyl]acetic acid
CID 60952335
3-hydroxy-N,N-bis(3-methylbutyl)propane-1-sulfonamide
CID 107871668
2-[heptyl(3-hydroxypropyl)sulfamoyl]acetic acid
CID 55028849
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
3-methyl-1-[3-methylbutyl(sulfamoyl)amino]butane
CID 52565324
2-[ethyl(propan-2-yl)sulfamoyl]acetic acid
CID 43265650
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
3-[3-methylbutyl(propan-2-yl)amino]propanoic acid
CID 60840337
2-[(2-ethoxy-2-oxoethyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 63064138
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950529
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-methylbutyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[bis(3-methylbutyl)sulfamoyl]acetic acid (CID 60950660) is 2-[bis(3-methylbutyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[bis(3-methylbutyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[bis(3-methylbutyl)sulfamoyl]acetic acid is CC(C)CCN(CCC(C)C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[bis(3-methylbutyl)sulfamoyl]acetic acid?
The InChIKey is OZLNOEYNWVJAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-10(2)5-7-13(8-6-11(3)4)18(16,17)9-12(14)15/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-[bis(3-methylbutyl)sulfamoyl]acetic acid?
2-[bis(3-methylbutyl)sulfamoyl]acetic acid has a molecular weight of 279.40 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-methylbutyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60950660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).