5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine

C9H18N2S2 — CID 115361656

IUPAC5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCSCCNC1=NCC(C)(C)CS1
InChIInChI=1S/C9H18N2S2/c1-9(2)6-11-8(13-7-9)10-4-5-12-3/h4-7H2,1-3H3,(H,10,11)
InChIKeyMYCUTEGCHYSMJT-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.07
Rot. Bonds3

About 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361656) has the molecular formula C9H18N2S2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361656
Molecular FormulaC9H18N2S2
Molecular Weight218.39 g/mol
Exact Mass218.09
IUPAC Name5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCSCCNC1=NCC(C)(C)CS1
InChIInChI=1S/C9H18N2S2/c1-9(2)6-11-8(13-7-9)10-4-5-12-3/h4-7H2,1-3H3,(H,10,11)
InChIKeyMYCUTEGCHYSMJT-UHFFFAOYSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361732
5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115520973
5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 82943455
N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361644
5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294282
5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361640
ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
CID 115361499
2-[2-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]ethoxy]acetamide
CID 106240287
5,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361810
N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 114140703
N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361472
5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035545

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 115361656) is 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine is CSCCNC1=NCC(C)(C)CS1.
What is the InChIKey of 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is MYCUTEGCHYSMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S2/c1-9(2)6-11-8(13-7-9)10-4-5-12-3/h4-7H2,1-3H3,(H,10,11).
What are the key properties of 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 218.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).