2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol

C11H16OS2 — CID 126985922

IUPAC2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CSc1cccs1
InChIInChI=1S/C11H16OS2/c12-10-5-2-1-4-9(10)8-14-11-6-3-7-13-11/h3,6-7,9-10,12H,1-2,4-5,8H2
InChIKeySXEUKMSKURROQR-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.39
Rot. Bonds3

About 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol

2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol (PubChem CID 126985922) has the molecular formula C11H16OS2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol
PubChem CID126985922
Molecular FormulaC11H16OS2
Molecular Weight228.38 g/mol
Exact Mass228.06
IUPAC Name2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CSc1cccs1
InChIInChI=1S/C11H16OS2/c12-10-5-2-1-4-9(10)8-14-11-6-3-7-13-11/h3,6-7,9-10,12H,1-2,4-5,8H2
InChIKeySXEUKMSKURROQR-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-ylsulfanylcyclohexan-1-ol
CID 60878226
2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573302
3-(thiophen-2-ylsulfanylmethyl)oxolane
CID 130622094
1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine
CID 104755139
1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone
CID 43427796
1-(thiophen-2-ylsulfanylmethyl)cyclopentan-1-ol
CID 65212586
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068085
2-(2-phenylsulfanylethyl)cyclohexan-1-ol
CID 79228950
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 62609943
methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate
CID 78986623

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol?
The IUPAC name of 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol (CID 126985922) is 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol is OC1CCCCC1CSc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol?
The InChIKey is SXEUKMSKURROQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS2/c12-10-5-2-1-4-9(10)8-14-11-6-3-7-13-11/h3,6-7,9-10,12H,1-2,4-5,8H2.
What are the key properties of 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol?
2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylsulfanylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 126985922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).