2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

C9H17F3N2O4S — CID 79792679

IUPAC2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c1-4-5-6-14(3)19(17,18)13-8(2,7(15)16)9(10,11)12/h13H,4-6H2,1-3H3,(H,15,16)
InChIKeyUYEYNXMXUZWDID-UHFFFAOYSA-N
MW306.31 g/mol
LogP0.96
Rot. Bonds7

About 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792679) has the molecular formula C9H17F3N2O4S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792679
Molecular FormulaC9H17F3N2O4S
Molecular Weight306.31 g/mol
Exact Mass306.09
IUPAC Name2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c1-4-5-6-14(3)19(17,18)13-8(2,7(15)16)9(10,11)12/h13H,4-6H2,1-3H3,(H,15,16)
InChIKeyUYEYNXMXUZWDID-UHFFFAOYSA-N
XLogP0.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792679) is 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is CCCCN(C)S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is UYEYNXMXUZWDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O4S/c1-4-5-6-14(3)19(17,18)13-8(2,7(15)16)9(10,11)12/h13H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 306.31 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)sulfamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).