N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide

C9H16F3NO2S — CID 163658616

IUPACN-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)16(14,15)13-7-8-5-3-1-2-4-6-8/h8,13H,1-7H2
InChIKeyISKMQRPXFSZUNC-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.40
Rot. Bonds3

About N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide

N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 163658616) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID163658616
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)16(14,15)13-7-8-5-3-1-2-4-6-8/h8,13H,1-7H2
InChIKeyISKMQRPXFSZUNC-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
N-[2-[1-(aminomethyl)cycloheptyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888273
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide
CID 143893293
3-Methyldecan-1-amine;trifluoromethanesulfonic acid
CID 173921561
2,3-Dimethyloctan-1-amine;trifluoromethanesulfonic acid
CID 173921600
3-Methyldodecan-1-amine;trifluoromethanesulfonic acid
CID 173921768
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
CID 28940670
N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598303
N-[(1-aminocycloheptyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598317

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide (CID 163658616) is N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCC1CCCCCC1)C(F)(F)F.
What is the InChIKey of N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ISKMQRPXFSZUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c10-9(11,12)16(14,15)13-7-8-5-3-1-2-4-6-8/h8,13H,1-7H2.
What are the key properties of N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide?
N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 163658616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).