4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H26N2S2 — CID 106352227

IUPAC4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCSCC(C)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C13H26N2S2/c1-6-16-9-10(2)14-12-15-11(7-8-17-12)13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyVHWAGHWGJPMALG-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.63
Rot. Bonds4

About 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352227) has the molecular formula C13H26N2S2 and a molecular weight of 274.50 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352227
Molecular FormulaC13H26N2S2
Molecular Weight274.50 g/mol
Exact Mass274.15
IUPAC Name4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCSCC(C)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C13H26N2S2/c1-6-16-9-10(2)14-12-15-11(7-8-17-12)13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyVHWAGHWGJPMALG-UHFFFAOYSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352227) is 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCSCC(C)NC1=NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VHWAGHWGJPMALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S2/c1-6-16-9-10(2)14-12-15-11(7-8-17-12)13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 274.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).