N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine

C14H20FNO2S — CID 79003256

IUPACN-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCC(NCc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO2S/c1-19(17,18)14-4-2-3-13(9-14)16-10-11-5-7-12(15)8-6-11/h5-8,13-14,16H,2-4,9-10H2,1H3
InChIKeyXUBHAGZLEIYLNN-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.27
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine

N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine (PubChem CID 79003256) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine
PubChem CID79003256
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCC(NCc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO2S/c1-19(17,18)14-4-2-3-13(9-14)16-10-11-5-7-12(15)8-6-11/h5-8,13-14,16H,2-4,9-10H2,1H3
InChIKeyXUBHAGZLEIYLNN-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol
CID 107230919
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
trans-(1S,3S)-N-(1-benzothiophen-2-ylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 97224328
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 79002701
[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105192762
N-[(4-fluorophenyl)methyl]-1,1-dioxothian-3-amine
CID 63910450
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 156782389
cis-(1S,3R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylsulfonylcyclohexan-1-amine
CID 98220516
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
3-[(4-chlorophenyl)methylsulfonyl]-N-ethylcyclohexan-1-amine
CID 114792094
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine (CID 79003256) is N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine is CS(=O)(=O)C1CCCC(NCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is XUBHAGZLEIYLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-19(17,18)14-4-2-3-13(9-14)16-10-11-5-7-12(15)8-6-11/h5-8,13-14,16H,2-4,9-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine?
N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 79003256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).