3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine

C5H10N2S — CID 154092502

IUPAC3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine
SMILESNCC1NCC=CS1
InChIInChI=1S/C5H10N2S/c6-4-5-7-2-1-3-8-5/h1,3,5,7H,2,4,6H2
InChIKeyNQUNSQPXODOLAD-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.12
Rot. Bonds1

About 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine

3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine (PubChem CID 154092502) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine
PubChem CID154092502
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine
SMILESNCC1NCC=CS1
InChIInChI=1S/C5H10N2S/c6-4-5-7-2-1-3-8-5/h1,3,5,7H,2,4,6H2
InChIKeyNQUNSQPXODOLAD-UHFFFAOYSA-N
XLogP0.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-1,3-thiazine
CID 19905276
Tetrahydro-1,4-thiazepine
CID 58044730
1-(Prop-2-enylsulfanylmethyl)piperazine
CID 68130499
2-methyl-3,4-dihydro-2H-1,3-thiazine
CID 123686569
3,4-dihydro-2-piperazinomethyl-2H-(1,3)-thiazine
CID 131712935
1-(2H-thiet-2-yl)piperazine
CID 139929127
3,4-dihydro-2H-1,3-thiazine;hydrochloride
CID 165123969
2-deuterio-3,4-dihydro-2H-1,3-thiazine
CID 175703406
N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60685739
N'-methyl-N'-(2-methylsulfanylethyl)-N-prop-2-enylethane-1,2-diamine
CID 112660799

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine?
The IUPAC name of 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine (CID 154092502) is 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine.
What is the SMILES notation for 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine?
The canonical SMILES for 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine is NCC1NCC=CS1.
What is the InChIKey of 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine?
The InChIKey is NQUNSQPXODOLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c6-4-5-7-2-1-3-8-5/h1,3,5,7H,2,4,6H2.
What are the key properties of 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine?
3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine has a molecular weight of 130.22 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,3-thiazin-2-ylmethanamine is sourced from PubChem (CID 154092502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).