2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C10H19F3N2O4S — CID 79792489

IUPAC2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCCN(CCC)S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-4-6-15(7-5-2)20(18,19)14-9(3,8(16)17)10(11,12)13/h14H,4-7H2,1-3H3,(H,16,17)
InChIKeyOIJJBEVSUBDCCP-UHFFFAOYSA-N
MW320.33 g/mol
LogP1.35
Rot. Bonds8

About 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792489) has the molecular formula C10H19F3N2O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792489
Molecular FormulaC10H19F3N2O4S
Molecular Weight320.33 g/mol
Exact Mass320.10
IUPAC Name2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCCN(CCC)S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H19F3N2O4S/c1-4-6-15(7-5-2)20(18,19)14-9(3,8(16)17)10(11,12)13/h14H,4-7H2,1-3H3,(H,16,17)
InChIKeyOIJJBEVSUBDCCP-UHFFFAOYSA-N
XLogP1.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792489) is 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CCCN(CCC)S(=O)(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is OIJJBEVSUBDCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O4S/c1-4-6-15(7-5-2)20(18,19)14-9(3,8(16)17)10(11,12)13/h14H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 320.33 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylsulfamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).