4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane

C11H23NS — CID 126543354

IUPAC4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane
SMILESCC(C)C1SCCC(C)N1C(C)C
InChIInChI=1S/C11H23NS/c1-8(2)11-12(9(3)4)10(5)6-7-13-11/h8-11H,6-7H2,1-5H3
InChIKeyZTFKBPGNNYZXPJ-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.20
Rot. Bonds2

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

4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane (PubChem CID 126543354) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane.

Molecular Properties

Compound Name4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane
PubChem CID126543354
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane
SMILESCC(C)C1SCCC(C)N1C(C)C
InChIInChI=1S/C11H23NS/c1-8(2)11-12(9(3)4)10(5)6-7-13-11/h8-11H,6-7H2,1-5H3
InChIKeyZTFKBPGNNYZXPJ-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane?
The IUPAC name of 4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane (CID 126543354) is 4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane.
What is the SMILES notation for 4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane?
The canonical SMILES for 4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane is CC(C)C1SCCC(C)N1C(C)C.
What is the InChIKey of 4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane?
The InChIKey is ZTFKBPGNNYZXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-8(2)11-12(9(3)4)10(5)6-7-13-11/h8-11H,6-7H2,1-5H3.
What are the key properties of 4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane?
4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane has a molecular weight of 201.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-di(propan-2-yl)-1,3-thiazinane is sourced from PubChem (CID 126543354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).