4-(dimethylsulfamoylamino)-2-methylbutanoic acid

C7H16N2O4S — CID 80540276

IUPAC4-(dimethylsulfamoylamino)-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C7H16N2O4S/c1-6(7(10)11)4-5-8-14(12,13)9(2)3/h6,8H,4-5H2,1-3H3,(H,10,11)
InChIKeyONVDQRHEOXXOSN-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.51
Rot. Bonds6

About 4-(dimethylsulfamoylamino)-2-methylbutanoic acid

4-(dimethylsulfamoylamino)-2-methylbutanoic acid (PubChem CID 80540276) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-2-methylbutanoic acid
PubChem CID80540276
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name4-(dimethylsulfamoylamino)-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C7H16N2O4S/c1-6(7(10)11)4-5-8-14(12,13)9(2)3/h6,8H,4-5H2,1-3H3,(H,10,11)
InChIKeyONVDQRHEOXXOSN-UHFFFAOYSA-N
XLogP-0.51
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806704
3-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806731
2-(Dimethylsulfamoylamino)-3-methylbutanoic acid
CID 24262922
(2R)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363754
(2S)-2-(dimethylsulfamoylamino)-3-methylbutanoic acid
CID 28363756
4-Amino-2-(dimethylsulfamoyl)-3-methylbutanoic acid
CID 88289921
CID 158730439
CID 158730439
4-(Dimethylsulfamoylamino)butanoic acid
CID 24263003
4-(Sulfamoylamino)butanoic acid
CID 24693646
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
2-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 43172820
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(dimethylsulfamoylamino)-2-methylbutanoic acid (CID 80540276) is 4-(dimethylsulfamoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(dimethylsulfamoylamino)-2-methylbutanoic acid is CC(CCNS(=O)(=O)N(C)C)C(=O)O.
What is the InChIKey of 4-(dimethylsulfamoylamino)-2-methylbutanoic acid?
The InChIKey is ONVDQRHEOXXOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-6(7(10)11)4-5-8-14(12,13)9(2)3/h6,8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 4-(dimethylsulfamoylamino)-2-methylbutanoic acid?
4-(dimethylsulfamoylamino)-2-methylbutanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 80540276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).