2-cyclohex-3-en-1-yl-1,3-thiazinane

C10H17NS — CID 66218259

IUPAC2-cyclohex-3-en-1-yl-1,3-thiazinane
SMILESC1=CCC(C2NCCCS2)CC1
InChIInChI=1S/C10H17NS/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-2,9-11H,3-8H2
InChIKeyAUGJBJCDHQRKQZ-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.40
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-1,3-thiazinane

2-cyclohex-3-en-1-yl-1,3-thiazinane (PubChem CID 66218259) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1,3-thiazinane.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1,3-thiazinane
PubChem CID66218259
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-cyclohex-3-en-1-yl-1,3-thiazinane
SMILESC1=CCC(C2NCCCS2)CC1
InChIInChI=1S/C10H17NS/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-2,9-11H,3-8H2
InChIKeyAUGJBJCDHQRKQZ-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-1,3-thiazinane?
The IUPAC name of 2-cyclohex-3-en-1-yl-1,3-thiazinane (CID 66218259) is 2-cyclohex-3-en-1-yl-1,3-thiazinane.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1,3-thiazinane?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1,3-thiazinane is C1=CCC(C2NCCCS2)CC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1,3-thiazinane?
The InChIKey is AUGJBJCDHQRKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-2,9-11H,3-8H2.
What are the key properties of 2-cyclohex-3-en-1-yl-1,3-thiazinane?
2-cyclohex-3-en-1-yl-1,3-thiazinane has a molecular weight of 183.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1,3-thiazinane is sourced from PubChem (CID 66218259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).