1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine

C10H17N3O2S2 — CID 62751813

IUPAC1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(N2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H17N3O2S2/c1-8(11-2)9-7-12-10(16-9)13-3-5-17(14,15)6-4-13/h7-8,11H,3-6H2,1-2H3
InChIKeyLFLAWLNYMUUMNU-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.66
Rot. Bonds3

About 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 62751813) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID62751813
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(N2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H17N3O2S2/c1-8(11-2)9-7-12-10(16-9)13-3-5-17(14,15)6-4-13/h7-8,11H,3-6H2,1-2H3
InChIKeyLFLAWLNYMUUMNU-UHFFFAOYSA-N
XLogP0.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine with MolForge

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Related Compounds

N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine
CID 62752084
N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 62753754
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62754570
N-methyl-1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62749888
N-methyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 62967417
1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089949
1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 63161333
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine
CID 114055861
N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62776879
N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62753967
N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 62751448
N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 62967962

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 62751813) is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(N2CCS(=O)(=O)CC2)s1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is LFLAWLNYMUUMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-8(11-2)9-7-12-10(16-9)13-3-5-17(14,15)6-4-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 275.40 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 62751813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).