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

C14H18N2O2S — CID 115361583

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCc2ccc3c(c2)OCO3)SC1
InChIInChI=1S/C14H18N2O2S/c1-14(2)7-16-13(19-8-14)15-6-10-3-4-11-12(5-10)18-9-17-11/h3-5H,6-9H2,1-2H3,(H,15,16)
InChIKeyNTOOMTDQWKAMIP-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.63
Rot. Bonds2

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

N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361583) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361583
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCc2ccc3c(c2)OCO3)SC1
InChIInChI=1S/C14H18N2O2S/c1-14(2)7-16-13(19-8-14)15-6-10-3-4-11-12(5-10)18-9-17-11/h3-5H,6-9H2,1-2H3,(H,15,16)
InChIKeyNTOOMTDQWKAMIP-UHFFFAOYSA-N
XLogP2.63
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035597
N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294190
N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361676
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107165772
4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethylphenol
CID 106953607
N-(1,3-benzodioxol-5-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 133365786
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515
2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 62906634
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508059
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352053
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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115361583) is N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCc2ccc3c(c2)OCO3)SC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is NTOOMTDQWKAMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2)7-16-13(19-8-14)15-6-10-3-4-11-12(5-10)18-9-17-11/h3-5H,6-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.63, 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)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).