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

C10H16F3NO4S — CID 79792486

IUPAC2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)C1CCCCC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c1-9(8(15)16,10(11,12)13)14-19(17,18)7-5-3-2-4-6-7/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyDEZLQXMOMXSJAA-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.64
Rot. Bonds4

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

2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792486) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792486
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)C1CCCCC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c1-9(8(15)16,10(11,12)13)14-19(17,18)7-5-3-2-4-6-7/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyDEZLQXMOMXSJAA-UHFFFAOYSA-N
XLogP1.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propanoic acid
CID 23236626
2-[(1,1-Dioxothian-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790470
2-(Tert-butylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792167
2-(Cyclopropylmethylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792168
3,3,3-Trifluoro-2-methyl-2-(propan-2-ylsulfonylamino)propanoic acid
CID 79792170
2-(2,2-Dimethylpropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792275
2-(Cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792490
2-(Cyclohexylmethylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792580
2-(Ethylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792582
3,3,3-Trifluoro-2-methyl-2-(3-methylbutylsulfonylamino)propanoic acid
CID 79792584
3,3,3-Trifluoro-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-2-methylpropanoic acid
CID 79792680
3,3,3-Trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid
CID 79792998

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792486) is 2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CC(NS(=O)(=O)C1CCCCC1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is DEZLQXMOMXSJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-9(8(15)16,10(11,12)13)14-19(17,18)7-5-3-2-4-6-7/h7,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).