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

C11H23NS — CID 130529084

IUPAC6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane
SMILESCC1CCNC(C(C)C)(C(C)C)S1
InChIInChI=1S/C11H23NS/c1-8(2)11(9(3)4)12-7-6-10(5)13-11/h8-10,12H,6-7H2,1-5H3
InChIKeyVVHMDTABAQRVKN-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.11
Rot. Bonds2

About 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane

6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane (PubChem CID 130529084) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane.

Molecular Properties

Compound Name6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane
PubChem CID130529084
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane
SMILESCC1CCNC(C(C)C)(C(C)C)S1
InChIInChI=1S/C11H23NS/c1-8(2)11(9(3)4)12-7-6-10(5)13-11/h8-10,12H,6-7H2,1-5H3
InChIKeyVVHMDTABAQRVKN-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane?
The IUPAC name of 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane (CID 130529084) is 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane.
What is the SMILES notation for 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane?
The canonical SMILES for 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane is CC1CCNC(C(C)C)(C(C)C)S1.
What is the InChIKey of 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane?
The InChIKey is VVHMDTABAQRVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-8(2)11(9(3)4)12-7-6-10(5)13-11/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane?
6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane has a molecular weight of 201.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,2-di(propan-2-yl)-1,3-thiazinane is sourced from PubChem (CID 130529084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).