cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol

C10H20O2S — CID 129322499

IUPACcis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol
SMILESCCO[C@H](C)S[C@H]1CCCC[C@H]1O
InChIInChI=1S/C10H20O2S/c1-3-12-8(2)13-10-7-5-4-6-9(10)11/h8-11H,3-7H2,1-2H3/t8-,9+,10-/m0/s1
InChIKeyGWNOCTHYMOWIMD-AEJSXWLSSA-N
MW204.33 g/mol
LogP2.41
Rot. Bonds4

About cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol

cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol (PubChem CID 129322499) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol
PubChem CID129322499
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Namecis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol
SMILESCCO[C@H](C)S[C@H]1CCCC[C@H]1O
InChIInChI=1S/C10H20O2S/c1-3-12-8(2)13-10-7-5-4-6-9(10)11/h8-11H,3-7H2,1-2H3/t8-,9+,10-/m0/s1
InChIKeyGWNOCTHYMOWIMD-AEJSXWLSSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol
CID 102735775
2-(3-aminobutylsulfanyl)cycloheptan-1-ol
CID 66234828
2-(3-methylbutylsulfanyl)cyclohexan-1-ol
CID 107751872
(1R)-2-methylsulfanylcyclohexan-1-ol
CID 130694561
2-ethoxycyclooctan-1-ol
CID 18953000
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
cyclohexane-1,2-diol;ethane;propane
CID 143149782
cyclopropane;1,1-diethoxyethane
CID 67020569
(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
CID 95772065
cyclopentyl 2-ethoxypropanoate
CID 173270406
trans-(1S,2S)-2-tetradecylsulfanylcyclohexan-1-ol
CID 121392157
1-cycloheptyl-2-ethoxypropan-1-ol
CID 82931092

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol (CID 129322499) is cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol is CCO[C@H](C)S[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol?
The InChIKey is GWNOCTHYMOWIMD-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H20O2S/c1-3-12-8(2)13-10-7-5-4-6-9(10)11/h8-11H,3-7H2,1-2H3/t8-,9+,10-/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol?
cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol has a molecular weight of 204.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(1S)-1-ethoxyethyl]sulfanylcyclohexan-1-ol is sourced from PubChem (CID 129322499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).