2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid

C8H18N2O4S — CID 65221037

IUPAC2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)7(8(11)12)5-9-15(13,14)10(3)4/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyAHZWCPMNYYXYNU-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.26
Rot. Bonds6

About 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid

2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid (PubChem CID 65221037) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid
PubChem CID65221037
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNS(=O)(=O)N(C)C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)7(8(11)12)5-9-15(13,14)10(3)4/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyAHZWCPMNYYXYNU-UHFFFAOYSA-N
XLogP-0.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]butanoic acid
CID 113636837
3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
2-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 43172820
3-[[Butyl(methyl)sulfamoyl]amino]propanoic acid
CID 43351241
3-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361693
3-(Dipropylsulfamoylamino)-2-methylpropanoic acid
CID 55105020
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 61137028
3-[[Methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455844
3-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455912
(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455918
3-[[Butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
CID 62674301
3-(Dimethylsulfamoylamino)-2-methylpropanoic acid
CID 62675161

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid (CID 65221037) is 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid is CC(C)C(CNS(=O)(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid?
The InChIKey is AHZWCPMNYYXYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(2)7(8(11)12)5-9-15(13,14)10(3)4/h6-7,9H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid?
2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylsulfamoylamino)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65221037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).