7-methyl-N-(trifluoromethylsulfonyl)octanamide

C10H18F3NO3S — CID 146494618

IUPAC7-methyl-N-(trifluoromethylsulfonyl)octanamide
SMILESCC(C)CCCCCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-8(2)6-4-3-5-7-9(15)14-18(16,17)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyWLANDZXAWIKKER-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.56
Rot. Bonds7

About 7-methyl-N-(trifluoromethylsulfonyl)octanamide

7-methyl-N-(trifluoromethylsulfonyl)octanamide (PubChem CID 146494618) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 7-methyl-N-(trifluoromethylsulfonyl)octanamide.

Molecular Properties

Compound Name7-methyl-N-(trifluoromethylsulfonyl)octanamide
PubChem CID146494618
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name7-methyl-N-(trifluoromethylsulfonyl)octanamide
SMILESCC(C)CCCCCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-8(2)6-4-3-5-7-9(15)14-18(16,17)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyWLANDZXAWIKKER-UHFFFAOYSA-N
XLogP2.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(trifluoromethylsulfonyl)nonadec-18-enamide
CID 154028090
5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)hexanamide
CID 153300358
11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide
CID 158263815
(2S)-2-amino-5-oxo-5-(trifluoromethylsulfonylamino)pentanoic acid
CID 10731266
7-methyl-N-oxidooctanamide
CID 56842822
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
CID 57354386
CID 57354386
11-methyl-N-oxidododecanamide
CID 71301385
2-(12-methyltridecanoylamino)ethanesulfonic acid
CID 87792920
N-methoxy-7-methyloctanamide
CID 174552254
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763
2-(7-methyloctanoylamino)acetic acid
CID 21289225

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(trifluoromethylsulfonyl)octanamide?
The IUPAC name of 7-methyl-N-(trifluoromethylsulfonyl)octanamide (CID 146494618) is 7-methyl-N-(trifluoromethylsulfonyl)octanamide.
What is the SMILES notation for 7-methyl-N-(trifluoromethylsulfonyl)octanamide?
The canonical SMILES for 7-methyl-N-(trifluoromethylsulfonyl)octanamide is CC(C)CCCCCC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 7-methyl-N-(trifluoromethylsulfonyl)octanamide?
The InChIKey is WLANDZXAWIKKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8(2)6-4-3-5-7-9(15)14-18(16,17)10(11,12)13/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 7-methyl-N-(trifluoromethylsulfonyl)octanamide?
7-methyl-N-(trifluoromethylsulfonyl)octanamide has a molecular weight of 289.32 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(trifluoromethylsulfonyl)octanamide is sourced from PubChem (CID 146494618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).