5,6-diethyl-3,4-dihydro-2H-1,4-thiazine

C8H15NS — CID 143716369

IUPAC5,6-diethyl-3,4-dihydro-2H-1,4-thiazine
SMILESCCC1=C(CC)SCCN1
InChIInChI=1S/C8H15NS/c1-3-7-8(4-2)10-6-5-9-7/h9H,3-6H2,1-2H3
InChIKeyCNTQYRXGACCBLX-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.35
Rot. Bonds2

About 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine

5,6-diethyl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 143716369) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5,6-diethyl-3,4-dihydro-2H-1,4-thiazine
PubChem CID143716369
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5,6-diethyl-3,4-dihydro-2H-1,4-thiazine
SMILESCCC1=C(CC)SCCN1
InChIInChI=1S/C8H15NS/c1-3-7-8(4-2)10-6-5-9-7/h9H,3-6H2,1-2H3
InChIKeyCNTQYRXGACCBLX-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3-athyl-5.6-dihydro-4H-1.4-thiazin
CID 55284857
2-Isopropyl-3-isobutyl-5,6-dihydro-4H-1,4-thiazin
CID 12998653
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
2,4-Dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 58359101
4-(methylamino)-3,6-dihydro-2H-thiopyran-5-thiol
CID 87419761
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
N-methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridin-4-amine
CID 89402508
5-Ethyl-2-methyl-4-propyl-2,3-dihydro-1,3-thiazole
CID 132196857
ethane;2-methyl-N-(1-methylsulfanylethyl)pent-2-en-3-amine
CID 141769252
4-Ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine
CID 143138217

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine (CID 143716369) is 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine is CCC1=C(CC)SCCN1.
What is the InChIKey of 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is CNTQYRXGACCBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-7-8(4-2)10-6-5-9-7/h9H,3-6H2,1-2H3.
What are the key properties of 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine?
5,6-diethyl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 157.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 143716369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).