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

C10H18N2O2S — CID 65036303

IUPACN-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2COCCO2)SC1
InChIInChI=1S/C10H18N2O2S/c1-8-4-11-10(15-7-8)12-5-9-6-13-2-3-14-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyRTDUIOFRJVZNAZ-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.73
Rot. Bonds2

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

N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65036303) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65036303
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2COCCO2)SC1
InChIInChI=1S/C10H18N2O2S/c1-8-4-11-10(15-7-8)12-5-9-6-13-2-3-14-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyRTDUIOFRJVZNAZ-UHFFFAOYSA-N
XLogP0.73
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65036303) is N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCC2COCCO2)SC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RTDUIOFRJVZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-8-4-11-10(15-7-8)12-5-9-6-13-2-3-14-9/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 230.33 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65036303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).