1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid

C9H14F3NO4S — CID 43361680

IUPAC1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C(F)(F)F)CCCCCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)18(16,17)13-8(7(14)15)5-3-1-2-4-6-8/h13H,1-6H2,(H,14,15)
InChIKeyZHXNDBRIAZLXFK-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.60
Rot. Bonds3

About 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid

1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid (PubChem CID 43361680) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid
PubChem CID43361680
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C(F)(F)F)CCCCCC1
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)18(16,17)13-8(7(14)15)5-3-1-2-4-6-8/h13H,1-6H2,(H,14,15)
InChIKeyZHXNDBRIAZLXFK-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 61065837
1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
CID 61066003
1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165338
1-(dimethylsulfamoylamino)cyclopentane-1-carboxylic acid
CID 43163284
1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
CID 79673370
1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61454000
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218
methyl 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)cyclohexane-1-carboxylate
CID 23236638
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(4-methylpiperazin-1-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 11573082
3-(tert-butylsulfonylamino)thiolane-3-carboxylic acid
CID 63687303

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid (CID 43361680) is 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)C(F)(F)F)CCCCCC1.
What is the InChIKey of 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid?
The InChIKey is ZHXNDBRIAZLXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c10-9(11,12)18(16,17)13-8(7(14)15)5-3-1-2-4-6-8/h13H,1-6H2,(H,14,15).
What are the key properties of 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid?
1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid has a molecular weight of 289.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43361680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).