5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine

C11H21NS — CID 12998653

IUPAC5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCC(C)CC1=C(C(C)C)SCCN1
InChIInChI=1S/C11H21NS/c1-8(2)7-10-11(9(3)4)13-6-5-12-10/h8-9,12H,5-7H2,1-4H3
InChIKeyLVXCIQJVNVECIA-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.24
Rot. Bonds3

About 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine

5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 12998653) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
PubChem CID12998653
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCC(C)CC1=C(C(C)C)SCCN1
InChIInChI=1S/C11H21NS/c1-8(2)7-10-11(9(3)4)13-6-5-12-10/h8-9,12H,5-7H2,1-4H3
InChIKeyLVXCIQJVNVECIA-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-5-propyl-3,4-dihydro-2H-1,4-thiazine
CID 85653077
5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-thiazine
CID 57632397
7,8-Dimethyl-2-thia-5-azabicyclo[4.2.0]oct-1(6)-ene
CID 59434751
6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
CID 89036740
5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
CID 89041216
4-Butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole
CID 130420194
5-Ethyl-2-methyl-4-propyl-2,3-dihydro-1,3-thiazole
CID 132196857
5,6-diethyl-3,4-dihydro-2H-1,4-thiazine
CID 143716369
5,7-Dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b][1,4]thiazine
CID 143716564
4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine
CID 143716566
Ethane;10-methyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716695
2,4-Dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;ethane
CID 145152017

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine (CID 12998653) is 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine is CC(C)CC1=C(C(C)C)SCCN1.
What is the InChIKey of 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is LVXCIQJVNVECIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-8(2)7-10-11(9(3)4)13-6-5-12-10/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 199.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 12998653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).