4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine

C10H19NS — CID 175506988

IUPAC4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine
SMILESCC(C)(C)N1C=CSCC1(C)C
InChIInChI=1S/C10H19NS/c1-9(2,3)11-6-7-12-8-10(11,4)5/h6-7H,8H2,1-5H3
InChIKeyOSBPBYDKHVKKFW-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.08
Rot. Bonds

About 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine

4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine (PubChem CID 175506988) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine.

Molecular Properties

Compound Name4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine
PubChem CID175506988
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine
SMILESCC(C)(C)N1C=CSCC1(C)C
InChIInChI=1S/C10H19NS/c1-9(2,3)11-6-7-12-8-10(11,4)5/h6-7H,8H2,1-5H3
InChIKeyOSBPBYDKHVKKFW-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine?
The IUPAC name of 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine (CID 175506988) is 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine.
What is the SMILES notation for 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine?
The canonical SMILES for 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine is CC(C)(C)N1C=CSCC1(C)C.
What is the InChIKey of 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine?
The InChIKey is OSBPBYDKHVKKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2,3)11-6-7-12-8-10(11,4)5/h6-7H,8H2,1-5H3.
What are the key properties of 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine?
4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine has a molecular weight of 185.34 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,3-dimethyl-2H-1,4-thiazine is sourced from PubChem (CID 175506988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).