4-methyl-2-thiophen-2-yl-1,3-thiazinane

C9H13NS2 — CID 66231741

IUPAC4-methyl-2-thiophen-2-yl-1,3-thiazinane
SMILESCC1CCSC(c2cccs2)N1
InChIInChI=1S/C9H13NS2/c1-7-4-6-12-9(10-7)8-3-2-5-11-8/h2-3,5,7,9-10H,4,6H2,1H3
InChIKeyHGXADCKSDJVTJA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.86
Rot. Bonds1

About 4-methyl-2-thiophen-2-yl-1,3-thiazinane

4-methyl-2-thiophen-2-yl-1,3-thiazinane (PubChem CID 66231741) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-1,3-thiazinane.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-1,3-thiazinane
PubChem CID66231741
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name4-methyl-2-thiophen-2-yl-1,3-thiazinane
SMILESCC1CCSC(c2cccs2)N1
InChIInChI=1S/C9H13NS2/c1-7-4-6-12-9(10-7)8-3-2-5-11-8/h2-3,5,7,9-10H,4,6H2,1H3
InChIKeyHGXADCKSDJVTJA-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazinane?
The IUPAC name of 4-methyl-2-thiophen-2-yl-1,3-thiazinane (CID 66231741) is 4-methyl-2-thiophen-2-yl-1,3-thiazinane.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-1,3-thiazinane?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-1,3-thiazinane is CC1CCSC(c2cccs2)N1.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-1,3-thiazinane?
The InChIKey is HGXADCKSDJVTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-7-4-6-12-9(10-7)8-3-2-5-11-8/h2-3,5,7,9-10H,4,6H2,1H3.
What are the key properties of 4-methyl-2-thiophen-2-yl-1,3-thiazinane?
4-methyl-2-thiophen-2-yl-1,3-thiazinane has a molecular weight of 199.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-1,3-thiazinane is sourced from PubChem (CID 66231741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).