2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide

C11H18O2S — CID 10059102

IUPAC2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESO=S1(=O)CC=CCC1C1CCCCC1
InChIInChI=1S/C11H18O2S/c12-14(13)9-5-4-8-11(14)10-6-2-1-3-7-10/h4-5,10-11H,1-3,6-9H2
InChIKeyMFBGXIAUWRFVQK-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.31
Rot. Bonds1

About 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide

2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 10059102) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID10059102
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESO=S1(=O)CC=CCC1C1CCCCC1
InChIInChI=1S/C11H18O2S/c12-14(13)9-5-4-8-11(14)10-6-2-1-3-7-10/h4-5,10-11H,1-3,6-9H2
InChIKeyMFBGXIAUWRFVQK-UHFFFAOYSA-N
XLogP2.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide 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

7lambda6-Thiadispiro[5.1.58.26]pentadec-14-ene 7,7-dioxide
CID 13641689
3a,4,5,6,7,8,9,9a-Octahydrobenzo[f][1]benzothiole 1,1-dioxide
CID 134934440
(1S,3R,4R)-3-ethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide
CID 13443309
(1S,3S,4R)-3-ethyl-2lambda6-thiabicyclo[2.2.1]hept-5-ene 2,2-dioxide
CID 15940007
(3Z)-11lambda6-thiabicyclo[4.4.3]tridec-3-ene 11,11-dioxide
CID 102019392
1-Methyl-4-non-8-enylsulfonylcyclohexane
CID 23466701
1-Ethylsulfonyl-4-methylcyclohexene
CID 57221588
5-Methylsulfonylbicyclo[3.3.1]non-2-ene
CID 68205674
CID 90719731
CID 90719731
6-Methyl-1-(1-methylsulfonylethyl)cyclohexene
CID 118128797
2-Methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene
CID 134449171
3-butyl-3-ethyl-5a,6,7,8,9,9a-hexahydro-2H-1lambda6-benzothiepine 1,1-dioxide
CID 140436892

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide (CID 10059102) is 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide is O=S1(=O)CC=CCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is MFBGXIAUWRFVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c12-14(13)9-5-4-8-11(14)10-6-2-1-3-7-10/h4-5,10-11H,1-3,6-9H2.
What are the key properties of 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 214.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,6-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 10059102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).