3,4-di(propan-2-yl)-1,4-thiazine

C10H17NS — CID 170536482

IUPAC3,4-di(propan-2-yl)-1,4-thiazine
SMILESCC(C)C1=CSC=CN1C(C)C
InChIInChI=1S/C10H17NS/c1-8(2)10-7-12-6-5-11(10)9(3)4/h5-9H,1-4H3
InChIKeyKGDWTPIMZKIINF-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.41
Rot. Bonds2

About 3,4-di(propan-2-yl)-1,4-thiazine

3,4-di(propan-2-yl)-1,4-thiazine (PubChem CID 170536482) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,4-thiazine.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,4-thiazine
PubChem CID170536482
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3,4-di(propan-2-yl)-1,4-thiazine
SMILESCC(C)C1=CSC=CN1C(C)C
InChIInChI=1S/C10H17NS/c1-8(2)10-7-12-6-5-11(10)9(3)4/h5-9H,1-4H3
InChIKeyKGDWTPIMZKIINF-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,4-thiazine?
The IUPAC name of 3,4-di(propan-2-yl)-1,4-thiazine (CID 170536482) is 3,4-di(propan-2-yl)-1,4-thiazine.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,4-thiazine?
The canonical SMILES for 3,4-di(propan-2-yl)-1,4-thiazine is CC(C)C1=CSC=CN1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,4-thiazine?
The InChIKey is KGDWTPIMZKIINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-8(2)10-7-12-6-5-11(10)9(3)4/h5-9H,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,4-thiazine?
3,4-di(propan-2-yl)-1,4-thiazine has a molecular weight of 183.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,4-thiazine is sourced from PubChem (CID 170536482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).