3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid

C10H16F3NO4S — CID 175646582

IUPAC3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)7-2-1-3-8(6-7)19(17,18)14-5-4-9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyLVFJNMQHUGSAIN-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.50
Rot. Bonds5

About 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid

3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid (PubChem CID 175646582) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid
PubChem CID175646582
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)7-2-1-3-8(6-7)19(17,18)14-5-4-9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyLVFJNMQHUGSAIN-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Propylpentylsulfonylamino)propanoic acid;2,2,2-trifluoroacetic acid
CID 87782398
4-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715481
3-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715482
4-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715749
3-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715750
4-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715767
3-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715768
2-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 61454921
2-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 61454963
2-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 61455205
2-[(2,2-Difluorocyclohexyl)methylsulfonylamino]acetic acid
CID 121977294
3-[(2,2-Difluorocyclopentyl)methylsulfonylamino]propanoic acid
CID 121977311

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid?
The IUPAC name of 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid (CID 175646582) is 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid?
The canonical SMILES for 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid?
The InChIKey is LVFJNMQHUGSAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c11-10(12,13)7-2-1-3-8(6-7)19(17,18)14-5-4-9(15)16/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid?
3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)cyclohexyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 175646582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).