[3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol

C16H24FNOS — CID 79640283

IUPAC[3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(Sc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FNOS/c1-12(2)18-16(11-19)9-3-4-15(10-16)20-14-7-5-13(17)6-8-14/h5-8,12,15,18-19H,3-4,9-11H2,1-2H3
InChIKeyMVVZDJNVEHXWGK-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.59
Rot. Bonds5

About [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol

[3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79640283) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79640283
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC Name[3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(Sc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FNOS/c1-12(2)18-16(11-19)9-3-4-15(10-16)20-14-7-5-13(17)6-8-14/h5-8,12,15,18-19H,3-4,9-11H2,1-2H3
InChIKeyMVVZDJNVEHXWGK-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79640283) is [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)NC1(CO)CCCC(Sc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is MVVZDJNVEHXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c1-12(2)18-16(11-19)9-3-4-15(10-16)20-14-7-5-13(17)6-8-14/h5-8,12,15,18-19H,3-4,9-11H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 297.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).