3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane

C9H14N2OS — CID 176666508

IUPAC3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane
SMILESCC.O=S1CCN2C=CC=CC2=N1
InChIInChI=1S/C7H8N2OS.C2H6/c10-11-6-5-9-4-2-1-3-7(9)8-11;1-2/h1-4H,5-6H2;1-2H3
InChIKeyRELPOSIYFZVBMQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.47
Rot. Bonds

About 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane

3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane (PubChem CID 176666508) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane.

Molecular Properties

Compound Name3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane
PubChem CID176666508
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane
SMILESCC.O=S1CCN2C=CC=CC2=N1
InChIInChI=1S/C7H8N2OS.C2H6/c10-11-6-5-9-4-2-1-3-7(9)8-11;1-2/h1-4H,5-6H2;1-2H3
InChIKeyRELPOSIYFZVBMQ-UHFFFAOYSA-N
XLogP1.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-3,4-dihydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 163650385
4H-pyrido[1,2-a]pyrimidine-2,3-dione
CID 23459858
(3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride
CID 52993133
(6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide
CID 142785551
2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
CID 82144179
5λ4-thia-1,8-diazatricyclo[7.4.0.02,6]trideca-2,6,8,10,12-pentaene 5-oxide
CID 70528787
8-methyl-3,4-dihydropyrido[1,2-a]pyrimidin-2-one
CID 4649341
2-(4-chloro-2-methylbutan-2-yl)-3H-[1,2,4]triazolo[4,3-a]pyridine
CID 175696147
3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
CID 141214894
3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine
CID 176530724
2,3,4,10-tetrahydropyrimido[1,2-a]azepine
CID 57099276
(2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 13009263

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane?
The IUPAC name of 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane (CID 176666508) is 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane.
What is the SMILES notation for 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane?
The canonical SMILES for 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane is CC.O=S1CCN2C=CC=CC2=N1.
What is the InChIKey of 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane?
The InChIKey is RELPOSIYFZVBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS.C2H6/c10-11-6-5-9-4-2-1-3-7(9)8-11;1-2/h1-4H,5-6H2;1-2H3.
What are the key properties of 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane?
3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane has a molecular weight of 198.29 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2-oxide;ethane is sourced from PubChem (CID 176666508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).