3-(dimethylsulfamoylamino)butanoic acid

C6H14N2O4S — CID 43172100

IUPAC3-(dimethylsulfamoylamino)butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H14N2O4S/c1-5(4-6(9)10)7-13(11,12)8(2)3/h5,7H,4H2,1-3H3,(H,9,10)
InChIKeyIYCGSQLXCQGTNP-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.75
Rot. Bonds5

About 3-(dimethylsulfamoylamino)butanoic acid

3-(dimethylsulfamoylamino)butanoic acid (PubChem CID 43172100) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)butanoic acid
PubChem CID43172100
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name3-(dimethylsulfamoylamino)butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H14N2O4S/c1-5(4-6(9)10)7-13(11,12)8(2)3/h5,7H,4H2,1-3H3,(H,9,10)
InChIKeyIYCGSQLXCQGTNP-UHFFFAOYSA-N
XLogP-0.75
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 ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)butanoic acid?
The IUPAC name of 3-(dimethylsulfamoylamino)butanoic acid (CID 43172100) is 3-(dimethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 3-(dimethylsulfamoylamino)butanoic acid?
The canonical SMILES for 3-(dimethylsulfamoylamino)butanoic acid is CC(CC(=O)O)NS(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoylamino)butanoic acid?
The InChIKey is IYCGSQLXCQGTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-5(4-6(9)10)7-13(11,12)8(2)3/h5,7H,4H2,1-3H3,(H,9,10).
What are the key properties of 3-(dimethylsulfamoylamino)butanoic acid?
3-(dimethylsulfamoylamino)butanoic acid has a molecular weight of 210.25 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 43172100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).