3-methyl-2-propyl-4H-1,4-thiazine

C8H13NS — CID 142434108

IUPAC3-methyl-2-propyl-4H-1,4-thiazine
SMILESCCCC1=C(C)NC=CS1
InChIInChI=1S/C8H13NS/c1-3-4-8-7(2)9-5-6-10-8/h5-6,9H,3-4H2,1-2H3
InChIKeyJJPATBMNSUJCCT-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.83
Rot. Bonds2

About 3-methyl-2-propyl-4H-1,4-thiazine

3-methyl-2-propyl-4H-1,4-thiazine (PubChem CID 142434108) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3-methyl-2-propyl-4H-1,4-thiazine.

Molecular Properties

Compound Name3-methyl-2-propyl-4H-1,4-thiazine
PubChem CID142434108
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3-methyl-2-propyl-4H-1,4-thiazine
SMILESCCCC1=C(C)NC=CS1
InChIInChI=1S/C8H13NS/c1-3-4-8-7(2)9-5-6-10-8/h5-6,9H,3-4H2,1-2H3
InChIKeyJJPATBMNSUJCCT-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyl-4H-1,4-thiazine?
The IUPAC name of 3-methyl-2-propyl-4H-1,4-thiazine (CID 142434108) is 3-methyl-2-propyl-4H-1,4-thiazine.
What is the SMILES notation for 3-methyl-2-propyl-4H-1,4-thiazine?
The canonical SMILES for 3-methyl-2-propyl-4H-1,4-thiazine is CCCC1=C(C)NC=CS1.
What is the InChIKey of 3-methyl-2-propyl-4H-1,4-thiazine?
The InChIKey is JJPATBMNSUJCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-4-8-7(2)9-5-6-10-8/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 3-methyl-2-propyl-4H-1,4-thiazine?
3-methyl-2-propyl-4H-1,4-thiazine has a molecular weight of 155.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyl-4H-1,4-thiazine is sourced from PubChem (CID 142434108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).