N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide

C9H18FNO2S — CID 162070204

IUPACN-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide
SMILESCC1(F)CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C9H18FNO2S/c1-9(10)6-4-3-5-8(9)7-11-14(2,12)13/h8,11H,3-7H2,1-2H3
InChIKeyRSZFKCAUVDNBBB-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.45
Rot. Bonds3

About N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide

N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide (PubChem CID 162070204) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide
PubChem CID162070204
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC NameN-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide
SMILESCC1(F)CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C9H18FNO2S/c1-9(10)6-4-3-5-8(9)7-11-14(2,12)13/h8,11H,3-7H2,1-2H3
InChIKeyRSZFKCAUVDNBBB-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-[(5R,6R)-8-cyclohexyl-6-ethyl-5-methyloctyl]-1,1,1-trifluoromethanesulfonamide
CID 143867500
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide
CID 157077652
N-[[2-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 65902268
N-[[2-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058948
N-[(1R)-1-cyclohexylethyl]-1,1,1-trifluoromethanesulfonamide
CID 102080366
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 114295418
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 115308757
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 115308876

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide (CID 162070204) is N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide is CC1(F)CCCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide?
The InChIKey is RSZFKCAUVDNBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-9(10)6-4-3-5-8(9)7-11-14(2,12)13/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide?
N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide has a molecular weight of 223.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 162070204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).