N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H16N2O2S — CID 65035597

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCc2ccc3c(c2)OCO3)SC1
InChIInChI=1S/C13H16N2O2S/c1-9-5-14-13(18-7-9)15-6-10-2-3-11-12(4-10)17-8-16-11/h2-4,9H,5-8H2,1H3,(H,14,15)
InChIKeyFWPGQEGDVGTKCG-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.24
Rot. Bonds2

About N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035597) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035597
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCc2ccc3c(c2)OCO3)SC1
InChIInChI=1S/C13H16N2O2S/c1-9-5-14-13(18-7-9)15-6-10-2-3-11-12(4-10)17-8-16-11/h2-4,9H,5-8H2,1H3,(H,14,15)
InChIKeyFWPGQEGDVGTKCG-UHFFFAOYSA-N
XLogP2.24
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361583
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
N-(1,3-benzodioxol-5-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 133365786
5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035545
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2,1,3-benzothiadiazol-4-amine
CID 65474641
N-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-2-amine
CID 4614540
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508059
6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-bis(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 177395032
4-N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62905602
N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylcyclohexan-1-amine
CID 43078372
N-(1,3-benzodioxol-5-ylmethyl)butan-1-amine
CID 4721993
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-benzyl-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 117089564

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035597) is N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCc2ccc3c(c2)OCO3)SC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FWPGQEGDVGTKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-5-14-13(18-7-9)15-6-10-2-3-11-12(4-10)17-8-16-11/h2-4,9H,5-8H2,1H3,(H,14,15).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).