3-(cyclohexylsulfanylmethyl)oxolane

C11H20OS — CID 127013309

IUPAC3-(cyclohexylsulfanylmethyl)oxolane
SMILESC1CCC(SCC2CCOC2)CC1
InChIInChI=1S/C11H20OS/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h10-11H,1-9H2
InChIKeyRVWDNDANMBANDP-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.09
Rot. Bonds3

About 3-(cyclohexylsulfanylmethyl)oxolane

3-(cyclohexylsulfanylmethyl)oxolane (PubChem CID 127013309) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(cyclohexylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name3-(cyclohexylsulfanylmethyl)oxolane
PubChem CID127013309
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-(cyclohexylsulfanylmethyl)oxolane
SMILESC1CCC(SCC2CCOC2)CC1
InChIInChI=1S/C11H20OS/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h10-11H,1-9H2
InChIKeyRVWDNDANMBANDP-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexylsulfanylmethyl)oxolane 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

3-(cyclopropylmethylsulfanyl)oxolane
CID 130651983
3-(ethylsulfanylmethyl)oxolane
CID 130928771
1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
CID 103986258
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
N-[2-(oxolan-3-yl)ethyl]cyclohexanamine
CID 103878945
3-ethyloxolane
CID 10996972
3-(bromomethyl)oxolane
CID 14173422
3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane
CID 46836222
1-(oxolan-3-ylmethyl)cyclobutan-1-ol
CID 115073595
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfanylmethyl)oxolane?
The IUPAC name of 3-(cyclohexylsulfanylmethyl)oxolane (CID 127013309) is 3-(cyclohexylsulfanylmethyl)oxolane.
What is the SMILES notation for 3-(cyclohexylsulfanylmethyl)oxolane?
The canonical SMILES for 3-(cyclohexylsulfanylmethyl)oxolane is C1CCC(SCC2CCOC2)CC1.
What is the InChIKey of 3-(cyclohexylsulfanylmethyl)oxolane?
The InChIKey is RVWDNDANMBANDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h10-11H,1-9H2.
What are the key properties of 3-(cyclohexylsulfanylmethyl)oxolane?
3-(cyclohexylsulfanylmethyl)oxolane has a molecular weight of 200.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfanylmethyl)oxolane is sourced from PubChem (CID 127013309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).