2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane

C12H21NS — CID 103277780

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane
SMILESCC1=CC(C)CC(C2NCCCS2)C1
InChIInChI=1S/C12H21NS/c1-9-6-10(2)8-11(7-9)12-13-4-3-5-14-12/h6,9,11-13H,3-5,7-8H2,1-2H3
InChIKeyZTNREFOMLFHIJA-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.03
Rot. Bonds1

About 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane

2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane (PubChem CID 103277780) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane
PubChem CID103277780
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane
SMILESCC1=CC(C)CC(C2NCCCS2)C1
InChIInChI=1S/C12H21NS/c1-9-6-10(2)8-11(7-9)12-13-4-3-5-14-12/h6,9,11-13H,3-5,7-8H2,1-2H3
InChIKeyZTNREFOMLFHIJA-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
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4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)piperidine
CID 123393048
6-[(2,6-Dimethylcyclohexen-1-yl)sulfanylmethyl]piperidine-2-carbothialdehyde
CID 123496182
N-methyl-1-(2-methyl-3-prop-1-en-2-ylsulfanylcyclohex-2-en-1-yl)methanamine
CID 132196064
3-(3,4-dihydro-2H-thiopyran-6-yl)piperidine
CID 141821076
ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
CID 142139244
4-(6-methyl-3,4-dihydro-2H-thiopyran-2-yl)piperidine
CID 145587761
4-(6-methyl-3,4-dihydro-2H-thiopyran-2-yl)-1,2,3,6-tetrahydropyridine
CID 145587805
spiro[7,7a-dihydro-1H-2-benzothiophene-3,4'-piperidine]
CID 145799170
N-[3-(3,5-dimethyl-6-methylsulfanylcyclohex-3-en-1-yl)propyl]pentan-2-amine
CID 146635349

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane (CID 103277780) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane is CC1=CC(C)CC(C2NCCCS2)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane?
The InChIKey is ZTNREFOMLFHIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-9-6-10(2)8-11(7-9)12-13-4-3-5-14-12/h6,9,11-13H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane?
2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane has a molecular weight of 211.37 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazinane is sourced from PubChem (CID 103277780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).