2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane

C10H18O2S — CID 11344711

IUPAC2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane
SMILESCS[C@@H]1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C10H18O2S/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeySUUYPVOBCWQTEW-RKDXNWHRSA-N
MW202.32 g/mol
LogP2.28
Rot. Bonds2

About 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane

2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane (PubChem CID 11344711) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane
PubChem CID11344711
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane
SMILESCS[C@@H]1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C10H18O2S/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeySUUYPVOBCWQTEW-RKDXNWHRSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 316424
2-[1-(2-Propan-2-ylsulfanylethoxy)ethoxy]ethylcyclohexane
CID 59460158
[4-(1,3-Dioxolan-2-yl)cyclohexyl]methanethiol
CID 87870311
2-[1-(2-Methylsulfanylethoxy)ethoxy]ethylcyclohexane
CID 89031073
8-(Methylsulfanylmethyl)-1,4-dioxaspiro[4.5]decane
CID 131182894
S-[[4-(1,3-dioxolan-2-yl)cyclohexyl]methyl] ethanethioate
CID 151791447
(7R,8R)-7-ethyl-8-methylsulfanyl-1,4-dioxaspiro[4.5]decane
CID 163618037
2-[[Cyclohexyl(methoxy)methoxy]methyl]thiolane
CID 178454279
2-[[Cyclohexyl(methoxy)methoxy]methyl]thiane
CID 178454366
2-[(1R,2S)-2-methylsulfanylcyclohexyl]-1,3-dioxolane
CID 101125859

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane?
The IUPAC name of 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane (CID 11344711) is 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane is CS[C@@H]1CCCC[C@H]1C1OCCO1.
What is the InChIKey of 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane?
The InChIKey is SUUYPVOBCWQTEW-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O2S/c1-13-9-5-3-2-4-8(9)10-11-6-7-12-10/h8-10H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane?
2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane has a molecular weight of 202.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-methylsulfanylcyclohexyl]-1,3-dioxolane is sourced from PubChem (CID 11344711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).