1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol

C15H24OS2 — CID 65139689

IUPAC1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
SMILESCCc1ccc(CC(O)CSC2CCCCC2)s1
InChIInChI=1S/C15H24OS2/c1-2-13-8-9-15(18-13)10-12(16)11-17-14-6-4-3-5-7-14/h8-9,12,14,16H,2-7,10-11H2,1H3
InChIKeyJTRVJTRSEZPKBP-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.28
Rot. Bonds6

About 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol

1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol (PubChem CID 65139689) has the molecular formula C15H24OS2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
PubChem CID65139689
Molecular FormulaC15H24OS2
Molecular Weight284.49 g/mol
Exact Mass284.13
IUPAC Name1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
SMILESCCc1ccc(CC(O)CSC2CCCCC2)s1
InChIInChI=1S/C15H24OS2/c1-2-13-8-9-15(18-13)10-12(16)11-17-14-6-4-3-5-7-14/h8-9,12,14,16H,2-7,10-11H2,1H3
InChIKeyJTRVJTRSEZPKBP-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
CID 65138544
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887
1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869370
1-(4-chlorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 65138542
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 66054897
1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139957
1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 107192144
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 65138589
1-amino-3-cyclohexylsulfanylpropan-2-ol
CID 60885564
1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62608280

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol (CID 65139689) is 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol is CCc1ccc(CC(O)CSC2CCCCC2)s1.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol?
The InChIKey is JTRVJTRSEZPKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS2/c1-2-13-8-9-15(18-13)10-12(16)11-17-14-6-4-3-5-7-14/h8-9,12,14,16H,2-7,10-11H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol?
1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol has a molecular weight of 284.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 65139689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).