N-cycloheptyl-1,1,1-trifluoromethanesulfonamide

C8H14F3NO2S — CID 125496604

IUPACN-cycloheptyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c9-8(10,11)15(13,14)12-7-5-3-1-2-4-6-7/h7,12H,1-6H2
InChIKeyROYIQLJIQKOEGW-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.15
Rot. Bonds2

About N-cycloheptyl-1,1,1-trifluoromethanesulfonamide

N-cycloheptyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 125496604) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-cycloheptyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-1,1,1-trifluoromethanesulfonamide
PubChem CID125496604
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-cycloheptyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c9-8(10,11)15(13,14)12-7-5-3-1-2-4-6-7/h7,12H,1-6H2
InChIKeyROYIQLJIQKOEGW-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexyltrifluoromethanesulfonamide
CID 14965464
N-cyclooctyl-1,1,1-trifluoromethanesulfonamide
CID 125496587
1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
CID 166446328
N-cyclodecyl-1,1,1-trifluoromethanesulfonamide
CID 177855030
N-cyclopentadecyl-1,1,1-trifluoromethanesulfonamide
CID 177855031
1,1,1-trifluoro-N-heptylmethanesulfonamide
CID 89694369
Nonan-4-ylazanium;trifluoromethanesulfonate
CID 156087620
N-(2-aminocycloheptyl)-1,1,1-trifluoromethanesulfonamide
CID 63258310
N-(2-aminocycloheptyl)-1,1-difluoromethanesulfonamide
CID 63258710
N-decan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 71485991
N-(2-aminocycloheptyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059854
N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 102224999

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-cycloheptyl-1,1,1-trifluoromethanesulfonamide (CID 125496604) is N-cycloheptyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-cycloheptyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-cycloheptyl-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CCCCCC1)C(F)(F)F.
What is the InChIKey of N-cycloheptyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ROYIQLJIQKOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c9-8(10,11)15(13,14)12-7-5-3-1-2-4-6-7/h7,12H,1-6H2.
What are the key properties of N-cycloheptyl-1,1,1-trifluoromethanesulfonamide?
N-cycloheptyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 125496604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).