[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine

C14H20FNO2S — CID 64696603

IUPAC[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C14H20FNO2S/c15-14-7-6-11(9-16)8-12(14)10-19(17,18)13-4-2-1-3-5-13/h6-8,13H,1-5,9-10,16H2
InChIKeyXPQPRTYXWHFZOC-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.53
Rot. Bonds4

About [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine

[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine (PubChem CID 64696603) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine
PubChem CID64696603
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C14H20FNO2S/c15-14-7-6-11(9-16)8-12(14)10-19(17,18)13-4-2-1-3-5-13/h6-8,13H,1-5,9-10,16H2
InChIKeyXPQPRTYXWHFZOC-UHFFFAOYSA-N
XLogP2.53
TPSA60.16 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64673615
2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene
CID 158363835
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[3-chloro-4-[(3-methylcyclohexyl)sulfonylmethyl]phenyl]methanamine
CID 102670604
3-(cyclohexylsulfonylmethyl)-5-fluoroaniline
CID 112648336
5-(cyclohexylsulfonylmethyl)-2-fluoropyridine
CID 167968231
2-[4-(cyclohexylsulfonylmethyl)phenyl]acetic acid
CID 105345572
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile
CID 107909308
[4-(cyclopentylsulfonylmethyl)phenyl]methanol
CID 110004765
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine (CID 64696603) is [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine is NCc1ccc(F)c(CS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine?
The InChIKey is XPQPRTYXWHFZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c15-14-7-6-11(9-16)8-12(14)10-19(17,18)13-4-2-1-3-5-13/h6-8,13H,1-5,9-10,16H2.
What are the key properties of [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine?
[3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine has a molecular weight of 285.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylsulfonylmethyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 64696603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).