2-(1-cyclohexylethyl)-1,3-thiazinane

C12H23NS — CID 130684752

IUPAC2-(1-cyclohexylethyl)-1,3-thiazinane
SMILESCC(C1CCCCC1)C1NCCCS1
InChIInChI=1S/C12H23NS/c1-10(11-6-3-2-4-7-11)12-13-8-5-9-14-12/h10-13H,2-9H2,1H3
InChIKeyZZZZVMCIBCKOMF-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.26
Rot. Bonds2

About 2-(1-cyclohexylethyl)-1,3-thiazinane

2-(1-cyclohexylethyl)-1,3-thiazinane (PubChem CID 130684752) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-(1-cyclohexylethyl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(1-cyclohexylethyl)-1,3-thiazinane
PubChem CID130684752
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-(1-cyclohexylethyl)-1,3-thiazinane
SMILESCC(C1CCCCC1)C1NCCCS1
InChIInChI=1S/C12H23NS/c1-10(11-6-3-2-4-7-11)12-13-8-5-9-14-12/h10-13H,2-9H2,1H3
InChIKeyZZZZVMCIBCKOMF-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylethylcyclohexane
CID 57034702
(2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane
CID 92644098
1-cyclopropylethylcyclopentane
CID 147777183
3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole
CID 46785750
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
methane;propan-2-ylcyclotetradecane
CID 159882779
3-cyclopropyl-2-methyl-1,4-thiazepane
CID 66218764
(2R)-2-propan-2-ylazepane
CID 7048221
5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 42575806
ethane;methane;propan-2-ylcyclohexane
CID 169430642
1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
CID 142386797
cyclohexyl(pyrrolidin-2-yl)methanol;ethane
CID 142116174

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethyl)-1,3-thiazinane?
The IUPAC name of 2-(1-cyclohexylethyl)-1,3-thiazinane (CID 130684752) is 2-(1-cyclohexylethyl)-1,3-thiazinane.
What is the SMILES notation for 2-(1-cyclohexylethyl)-1,3-thiazinane?
The canonical SMILES for 2-(1-cyclohexylethyl)-1,3-thiazinane is CC(C1CCCCC1)C1NCCCS1.
What is the InChIKey of 2-(1-cyclohexylethyl)-1,3-thiazinane?
The InChIKey is ZZZZVMCIBCKOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10(11-6-3-2-4-7-11)12-13-8-5-9-14-12/h10-13H,2-9H2,1H3.
What are the key properties of 2-(1-cyclohexylethyl)-1,3-thiazinane?
2-(1-cyclohexylethyl)-1,3-thiazinane has a molecular weight of 213.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethyl)-1,3-thiazinane is sourced from PubChem (CID 130684752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).