N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H18N2O2S — CID 104763301

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOC1(CNC2=NCCCS2)CCOC1
InChIInChI=1S/C10H18N2O2S/c1-13-10(3-5-14-8-10)7-12-9-11-4-2-6-15-9/h2-8H2,1H3,(H,11,12)
InChIKeyOBMPFUIFBJBVQG-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.87
Rot. Bonds3

About N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 104763301) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID104763301
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOC1(CNC2=NCCCS2)CCOC1
InChIInChI=1S/C10H18N2O2S/c1-13-10(3-5-14-8-10)7-12-9-11-4-2-6-15-9/h2-8H2,1H3,(H,11,12)
InChIKeyOBMPFUIFBJBVQG-UHFFFAOYSA-N
XLogP0.87
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 104763301) is N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is COC1(CNC2=NCCCS2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is OBMPFUIFBJBVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-13-10(3-5-14-8-10)7-12-9-11-4-2-6-15-9/h2-8H2,1H3,(H,11,12).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 230.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 104763301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).