N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide

C8H14FNO2S — CID 91004606

IUPACN-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide
SMILESC=C1CCC(NS(C)(=O)=O)C(F)C1
InChIInChI=1S/C8H14FNO2S/c1-6-3-4-8(7(9)5-6)10-13(2,11)12/h7-8,10H,1,3-5H2,2H3
InChIKeyKGMNPJWRZZMAHF-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.98
Rot. Bonds2

About N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide

N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide (PubChem CID 91004606) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide
PubChem CID91004606
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC NameN-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide
SMILESC=C1CCC(NS(C)(=O)=O)C(F)C1
InChIInChI=1S/C8H14FNO2S/c1-6-3-4-8(7(9)5-6)10-13(2,11)12/h7-8,10H,1,3-5H2,2H3
InChIKeyKGMNPJWRZZMAHF-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(4-methylidenecyclohexyl)ethanesulfonamide
CID 91027303
N-(2-chloro-4-fluoro-5-methylidenecyclohexyl)methanesulfonamide
CID 91377287
N-(5-methylhex-5-enyl)methanesulfonamide
CID 23563453
N-(4-ethylidenecyclohexyl)methanesulfonamide
CID 71122467
N-(3-methylidenecyclohexyl)propane-2-sulfonamide
CID 90710783
N-(3-methylidenecyclohexyl)ethanesulfonamide
CID 90805781
N-(2-methylidenecyclohexyl)methanesulfonamide
CID 91087839
N-(4-methylidenecyclohexyl)methanesulfonamide
CID 91298182
N-(3-methylidenecyclohexyl)methanesulfonamide
CID 91471248
[(4-Methylidenecyclohexyl)amino] methanesulfonate
CID 168164559
2-methyl-N-(2-methylidenecyclohexyl)propane-2-sulfonamide
CID 86063139

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide?
The IUPAC name of N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide (CID 91004606) is N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide is C=C1CCC(NS(C)(=O)=O)C(F)C1.
What is the InChIKey of N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide?
The InChIKey is KGMNPJWRZZMAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c1-6-3-4-8(7(9)5-6)10-13(2,11)12/h7-8,10H,1,3-5H2,2H3.
What are the key properties of N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide?
N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide has a molecular weight of 207.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylidenecyclohexyl)methanesulfonamide is sourced from PubChem (CID 91004606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).