4-(diethylsulfamoylamino)-2-methylbutanoic acid

C9H20N2O4S — CID 80540484

IUPAC4-(diethylsulfamoylamino)-2-methylbutanoic acid
SMILESCCN(CC)S(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-11(5-2)16(14,15)10-7-6-8(3)9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyGSUYHTQVEWXVBD-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.27
Rot. Bonds8

About 4-(diethylsulfamoylamino)-2-methylbutanoic acid

4-(diethylsulfamoylamino)-2-methylbutanoic acid (PubChem CID 80540484) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(diethylsulfamoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(diethylsulfamoylamino)-2-methylbutanoic acid
PubChem CID80540484
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name4-(diethylsulfamoylamino)-2-methylbutanoic acid
SMILESCCN(CC)S(=O)(=O)NCCC(C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-11(5-2)16(14,15)10-7-6-8(3)9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyGSUYHTQVEWXVBD-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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(diethylsulfamoylamino)-2-methylbutanoic acid (CID 80540484) is 4-(diethylsulfamoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(diethylsulfamoylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(diethylsulfamoylamino)-2-methylbutanoic acid is CCN(CC)S(=O)(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-(diethylsulfamoylamino)-2-methylbutanoic acid?
The InChIKey is GSUYHTQVEWXVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-11(5-2)16(14,15)10-7-6-8(3)9(12)13/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-(diethylsulfamoylamino)-2-methylbutanoic acid?
4-(diethylsulfamoylamino)-2-methylbutanoic 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 4-(diethylsulfamoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 80540484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).