[3-(fluoromethylsulfonyl)cyclohexyl]methanamine

C8H16FNO2S — CID 84722921

IUPAC[3-(fluoromethylsulfonyl)cyclohexyl]methanamine
SMILESNCC1CCCC(S(=O)(=O)CF)C1
InChIInChI=1S/C8H16FNO2S/c9-6-13(11,12)8-3-1-2-7(4-8)5-10/h7-8H,1-6,10H2
InChIKeySRNWEDZRHUVQIL-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.85
Rot. Bonds3

About [3-(fluoromethylsulfonyl)cyclohexyl]methanamine

[3-(fluoromethylsulfonyl)cyclohexyl]methanamine (PubChem CID 84722921) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is [3-(fluoromethylsulfonyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(fluoromethylsulfonyl)cyclohexyl]methanamine
PubChem CID84722921
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name[3-(fluoromethylsulfonyl)cyclohexyl]methanamine
SMILESNCC1CCCC(S(=O)(=O)CF)C1
InChIInChI=1S/C8H16FNO2S/c9-6-13(11,12)8-3-1-2-7(4-8)5-10/h7-8H,1-6,10H2
InChIKeySRNWEDZRHUVQIL-UHFFFAOYSA-N
XLogP0.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(fluoromethylsulfonyl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Methanesulfonylcyclohexyl)methanamine hydrochloride
CID 132327778
(4-Methanesulfonylcyclohexyl)methanamine
CID 84719803
(1-Methanesulfonylcyclohexyl)methanamine
CID 62474898
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
CID 64697037
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061841
4,4,4-Trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80071820
[4-(Fluoromethylsulfonyl)cyclohexyl]methanamine
CID 84722922
2-(4-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 84773582
2-(5-Fluoro-1,1-dioxothiepan-4-yl)ethanamine
CID 84780768
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
CID 103312161
3,3,3-Trifluoro-2-[(3-methylcyclohexyl)sulfonylmethyl]propan-1-amine
CID 103372545
2,2-Difluoro-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 103516905

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethylsulfonyl)cyclohexyl]methanamine?
The IUPAC name of [3-(fluoromethylsulfonyl)cyclohexyl]methanamine (CID 84722921) is [3-(fluoromethylsulfonyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(fluoromethylsulfonyl)cyclohexyl]methanamine?
The canonical SMILES for [3-(fluoromethylsulfonyl)cyclohexyl]methanamine is NCC1CCCC(S(=O)(=O)CF)C1.
What is the InChIKey of [3-(fluoromethylsulfonyl)cyclohexyl]methanamine?
The InChIKey is SRNWEDZRHUVQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-6-13(11,12)8-3-1-2-7(4-8)5-10/h7-8H,1-6,10H2.
What are the key properties of [3-(fluoromethylsulfonyl)cyclohexyl]methanamine?
[3-(fluoromethylsulfonyl)cyclohexyl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethylsulfonyl)cyclohexyl]methanamine is sourced from PubChem (CID 84722921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).