2,4,6-tris(2-methylpropyl)-1,4-thiazine

C16H29NS — CID 175392920

IUPAC2,4,6-tris(2-methylpropyl)-1,4-thiazine
SMILESCC(C)CC1=CN(CC(C)C)C=C(CC(C)C)S1
InChIInChI=1S/C16H29NS/c1-12(2)7-15-10-17(9-14(5)6)11-16(18-15)8-13(3)4/h10-14H,7-9H2,1-6H3
InChIKeyCODCRRZPRVUWCS-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.47
Rot. Bonds6

About 2,4,6-tris(2-methylpropyl)-1,4-thiazine

2,4,6-tris(2-methylpropyl)-1,4-thiazine (PubChem CID 175392920) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 2,4,6-tris(2-methylpropyl)-1,4-thiazine.

Molecular Properties

Compound Name2,4,6-tris(2-methylpropyl)-1,4-thiazine
PubChem CID175392920
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name2,4,6-tris(2-methylpropyl)-1,4-thiazine
SMILESCC(C)CC1=CN(CC(C)C)C=C(CC(C)C)S1
InChIInChI=1S/C16H29NS/c1-12(2)7-15-10-17(9-14(5)6)11-16(18-15)8-13(3)4/h10-14H,7-9H2,1-6H3
InChIKeyCODCRRZPRVUWCS-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-methylpropyl)-1,4-thiazine?
The IUPAC name of 2,4,6-tris(2-methylpropyl)-1,4-thiazine (CID 175392920) is 2,4,6-tris(2-methylpropyl)-1,4-thiazine.
What is the SMILES notation for 2,4,6-tris(2-methylpropyl)-1,4-thiazine?
The canonical SMILES for 2,4,6-tris(2-methylpropyl)-1,4-thiazine is CC(C)CC1=CN(CC(C)C)C=C(CC(C)C)S1.
What is the InChIKey of 2,4,6-tris(2-methylpropyl)-1,4-thiazine?
The InChIKey is CODCRRZPRVUWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-12(2)7-15-10-17(9-14(5)6)11-16(18-15)8-13(3)4/h10-14H,7-9H2,1-6H3.
What are the key properties of 2,4,6-tris(2-methylpropyl)-1,4-thiazine?
2,4,6-tris(2-methylpropyl)-1,4-thiazine has a molecular weight of 267.48 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-methylpropyl)-1,4-thiazine is sourced from PubChem (CID 175392920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).