N-[(1-fluorocyclohexyl)methyl]methanesulfonamide

C8H16FNO2S — CID 130696129

IUPACN-[(1-fluorocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(F)CCCCC1
InChIInChI=1S/C8H16FNO2S/c1-13(11,12)10-7-8(9)5-3-2-4-6-8/h10H,2-7H2,1H3
InChIKeyMHZWCQOMBUFCMK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.21
Rot. Bonds3

About N-[(1-fluorocyclohexyl)methyl]methanesulfonamide

N-[(1-fluorocyclohexyl)methyl]methanesulfonamide (PubChem CID 130696129) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-fluorocyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-fluorocyclohexyl)methyl]methanesulfonamide
PubChem CID130696129
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC NameN-[(1-fluorocyclohexyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(F)CCCCC1
InChIInChI=1S/C8H16FNO2S/c1-13(11,12)10-7-8(9)5-3-2-4-6-8/h10H,2-7H2,1H3
InChIKeyMHZWCQOMBUFCMK-UHFFFAOYSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
N-(6-fluoro-6-methylheptyl)methanesulfonamide
CID 91482416
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide
CID 157077652
N-[(2,2-difluorocyclohexyl)methyl]methanesulfonamide
CID 126793658
N-[[3-(trifluoromethyl)cyclohexyl]methyl]methanesulfonamide
CID 127432215
N-[[(1R)-2,2-difluorocyclohexyl]methyl]methanesulfonamide
CID 129322265
N-[[(1S)-2,2-difluorocyclohexyl]methyl]methanesulfonamide
CID 129322266
N-[(3-ethyl-2,2-difluorocyclohexyl)methyl]methanesulfonamide
CID 158466986
N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide
CID 162070204

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclohexyl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-fluorocyclohexyl)methyl]methanesulfonamide (CID 130696129) is N-[(1-fluorocyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-fluorocyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-fluorocyclohexyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1(F)CCCCC1.
What is the InChIKey of N-[(1-fluorocyclohexyl)methyl]methanesulfonamide?
The InChIKey is MHZWCQOMBUFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-13(11,12)10-7-8(9)5-3-2-4-6-8/h10H,2-7H2,1H3.
What are the key properties of N-[(1-fluorocyclohexyl)methyl]methanesulfonamide?
N-[(1-fluorocyclohexyl)methyl]methanesulfonamide has a molecular weight of 209.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 130696129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).