2,4-dimethyl-1,3-thiazinane

C6H13NS — CID 66231970

IUPAC2,4-dimethyl-1,3-thiazinane
SMILESCC1CCSC(C)N1
InChIInChI=1S/C6H13NS/c1-5-3-4-8-6(2)7-5/h5-7H,3-4H2,1-2H3
InChIKeySZSIBAISKVQKKS-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.45
Rot. Bonds

About 2,4-dimethyl-1,3-thiazinane

2,4-dimethyl-1,3-thiazinane (PubChem CID 66231970) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazinane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazinane
PubChem CID66231970
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2,4-dimethyl-1,3-thiazinane
SMILESCC1CCSC(C)N1
InChIInChI=1S/C6H13NS/c1-5-3-4-8-6(2)7-5/h5-7H,3-4H2,1-2H3
InChIKeySZSIBAISKVQKKS-UHFFFAOYSA-N
XLogP1.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazinane?
The IUPAC name of 2,4-dimethyl-1,3-thiazinane (CID 66231970) is 2,4-dimethyl-1,3-thiazinane.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazinane?
The canonical SMILES for 2,4-dimethyl-1,3-thiazinane is CC1CCSC(C)N1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazinane?
The InChIKey is SZSIBAISKVQKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-3-4-8-6(2)7-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-thiazinane?
2,4-dimethyl-1,3-thiazinane has a molecular weight of 131.24 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazinane is sourced from PubChem (CID 66231970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).