2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid

C9H15F2NO4S — CID 54901825

IUPAC2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)C(F)F)C1CCCCC1
InChIInChI=1S/C9H15F2NO4S/c10-9(11)17(15,16)12-7(8(13)14)6-4-2-1-3-5-6/h6-7,9,12H,1-5H2,(H,13,14)
InChIKeyOEVBDXLZKRDTGC-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.16
Rot. Bonds5

About 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid

2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid (PubChem CID 54901825) has the molecular formula C9H15F2NO4S and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid
PubChem CID54901825
Molecular FormulaC9H15F2NO4S
Molecular Weight271.28 g/mol
Exact Mass271.07
IUPAC Name2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)C(F)F)C1CCCCC1
InChIInChI=1S/C9H15F2NO4S/c10-9(11)17(15,16)12-7(8(13)14)6-4-2-1-3-5-6/h6-7,9,12H,1-5H2,(H,13,14)
InChIKeyOEVBDXLZKRDTGC-UHFFFAOYSA-N
XLogP1.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
CID 63688223
2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid
CID 64987369
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid
CID 63245001
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
CID 114805745
2-cyclohexyl-2-[(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61358761
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid
CID 81386001
(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride
CID 68649857
2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
CID 112744946
2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid
CID 106265465

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid (CID 54901825) is 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid is O=C(O)C(NS(=O)(=O)C(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid?
The InChIKey is OEVBDXLZKRDTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4S/c10-9(11)17(15,16)12-7(8(13)14)6-4-2-1-3-5-6/h6-7,9,12H,1-5H2,(H,13,14).
What are the key properties of 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid?
2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid has a molecular weight of 271.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid is sourced from PubChem (CID 54901825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).