4-(fluoromethylsulfonyl)cyclohexan-1-amine

C7H14FNO2S — CID 84720543

IUPAC4-(fluoromethylsulfonyl)cyclohexan-1-amine
SMILESNC1CCC(S(=O)(=O)CF)CC1
InChIInChI=1S/C7H14FNO2S/c8-5-12(10,11)7-3-1-6(9)2-4-7/h6-7H,1-5,9H2
InChIKeyNRKXOUHDTNLGOL-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.60
Rot. Bonds2

About 4-(fluoromethylsulfonyl)cyclohexan-1-amine

4-(fluoromethylsulfonyl)cyclohexan-1-amine (PubChem CID 84720543) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(fluoromethylsulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(fluoromethylsulfonyl)cyclohexan-1-amine
PubChem CID84720543
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name4-(fluoromethylsulfonyl)cyclohexan-1-amine
SMILESNC1CCC(S(=O)(=O)CF)CC1
InChIInChI=1S/C7H14FNO2S/c8-5-12(10,11)7-3-1-6(9)2-4-7/h6-7H,1-5,9H2
InChIKeyNRKXOUHDTNLGOL-UHFFFAOYSA-N
XLogP0.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methanesulfonylcyclohexan-1-amine hydrochloride
CID 54594876
4-Methanesulfonylcyclohexan-1-amine hydrochloride
CID 54595091
rac-(1R,2R)-2-methanesulfonylcyclohexan-1-amine hydrochloride
CID 119031992
3-Methanesulfonylcyclohexan-1-amine
CID 14615349
4-Methanesulfonylcyclohexan-1-amine
CID 24689381
(1R,2R)-2-Methanesulfonylcyclohexan-1-amine
CID 52271229
3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 71976652
5-(Fluoromethylsulfonyl)pentan-1-amine
CID 84718786
5-(Fluoromethylsulfonyl)pentan-2-amine
CID 84718787
3-(Fluoromethylsulfonyl)cyclohexan-1-amine
CID 84720542
3-fluoro-N-[(1S,2R)-2-methylsulfanylcyclohexyl]propane-1-sulfonamide
CID 97594351
3-fluoro-N-[(1S,2S)-2-methylsulfanylcyclohexyl]propane-1-sulfonamide
CID 97594352

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethylsulfonyl)cyclohexan-1-amine?
The IUPAC name of 4-(fluoromethylsulfonyl)cyclohexan-1-amine (CID 84720543) is 4-(fluoromethylsulfonyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(fluoromethylsulfonyl)cyclohexan-1-amine?
The canonical SMILES for 4-(fluoromethylsulfonyl)cyclohexan-1-amine is NC1CCC(S(=O)(=O)CF)CC1.
What is the InChIKey of 4-(fluoromethylsulfonyl)cyclohexan-1-amine?
The InChIKey is NRKXOUHDTNLGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-5-12(10,11)7-3-1-6(9)2-4-7/h6-7H,1-5,9H2.
What are the key properties of 4-(fluoromethylsulfonyl)cyclohexan-1-amine?
4-(fluoromethylsulfonyl)cyclohexan-1-amine has a molecular weight of 195.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethylsulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 84720543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).