3-(dimethylsulfamoylamino)-2-methylpropanoic acid

C6H14N2O4S — CID 62675161

IUPAC3-(dimethylsulfamoylamino)-2-methylpropanoic acid
SMILESCC(CNS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C6H14N2O4S/c1-5(6(9)10)4-7-13(11,12)8(2)3/h5,7H,4H2,1-3H3,(H,9,10)
InChIKeyRANVACCTTPTYEO-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.90
Rot. Bonds5

About 3-(dimethylsulfamoylamino)-2-methylpropanoic acid

3-(dimethylsulfamoylamino)-2-methylpropanoic acid (PubChem CID 62675161) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-2-methylpropanoic acid
PubChem CID62675161
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name3-(dimethylsulfamoylamino)-2-methylpropanoic acid
SMILESCC(CNS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C6H14N2O4S/c1-5(6(9)10)4-7-13(11,12)8(2)3/h5,7H,4H2,1-3H3,(H,9,10)
InChIKeyRANVACCTTPTYEO-UHFFFAOYSA-N
XLogP-0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(dimethylsulfamoylamino)-2-methylpropanoic acid (CID 62675161) is 3-(dimethylsulfamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(dimethylsulfamoylamino)-2-methylpropanoic acid is CC(CNS(=O)(=O)N(C)C)C(=O)O.
What is the InChIKey of 3-(dimethylsulfamoylamino)-2-methylpropanoic acid?
The InChIKey is RANVACCTTPTYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-5(6(9)10)4-7-13(11,12)8(2)3/h5,7H,4H2,1-3H3,(H,9,10).
What are the key properties of 3-(dimethylsulfamoylamino)-2-methylpropanoic acid?
3-(dimethylsulfamoylamino)-2-methylpropanoic acid has a molecular weight of 210.25 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 62675161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).