[1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol

C16H22FNOS — CID 79640361

IUPAC[1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(Sc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNOS/c17-12-3-7-14(8-4-12)20-15-2-1-9-16(10-15,11-19)18-13-5-6-13/h3-4,7-8,13,15,18-19H,1-2,5-6,9-11H2
InChIKeyYMVCONDZLVSQLZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.34
Rot. Bonds5

About [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol

[1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol (PubChem CID 79640361) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol
PubChem CID79640361
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name[1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(Sc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNOS/c17-12-3-7-14(8-4-12)20-15-2-1-9-16(10-15,11-19)18-13-5-6-13/h3-4,7-8,13,15,18-19H,1-2,5-6,9-11H2
InChIKeyYMVCONDZLVSQLZ-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylamino)-3-(3,4-dichlorophenyl)sulfanylcyclohexyl]methanol
CID 79638931
[1-(cyclopropylamino)-3-(1H-imidazol-2-ylsulfanyl)cyclopentyl]methanol
CID 107784575
[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(methylamino)cyclohexyl]methanol
CID 115479484
[1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclohexyl]methanol
CID 79640349
[1-(cyclopropylamino)-3-(3-methylbutylsulfanyl)cyclohexyl]methanol
CID 107764890
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
[1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol
CID 107764814
[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646579
[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol
CID 79634509
[3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol
CID 79645555
[1-amino-3-(4-chlorophenyl)sulfanylcyclohexyl]methanol
CID 79640773
[1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]cyclohexyl]methanol
CID 79634395

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol (CID 79640361) is [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol is OCC1(NC2CC2)CCCC(Sc2ccc(F)cc2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol?
The InChIKey is YMVCONDZLVSQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c17-12-3-7-14(8-4-12)20-15-2-1-9-16(10-15,11-19)18-13-5-6-13/h3-4,7-8,13,15,18-19H,1-2,5-6,9-11H2.
What are the key properties of [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol?
[1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol has a molecular weight of 295.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(4-fluorophenyl)sulfanylcyclohexyl]methanol is sourced from PubChem (CID 79640361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).