4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide

C10H14N2O2S — CID 155096370

IUPAC4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide
SMILESCC(C)N1CCS(=O)(=O)c2cccnc21
InChIInChI=1S/C10H14N2O2S/c1-8(2)12-6-7-15(13,14)9-4-3-5-11-10(9)12/h3-5,8H,6-7H2,1-2H3
InChIKeyNCOWDCKQMOGQQG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.08
Rot. Bonds1

About 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide

4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide (PubChem CID 155096370) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide.

Molecular Properties

Compound Name4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide
PubChem CID155096370
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide
SMILESCC(C)N1CCS(=O)(=O)c2cccnc21
InChIInChI=1S/C10H14N2O2S/c1-8(2)12-6-7-15(13,14)9-4-3-5-11-10(9)12/h3-5,8H,6-7H2,1-2H3
InChIKeyNCOWDCKQMOGQQG-UHFFFAOYSA-N
XLogP1.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine
CID 114055861
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
6-propan-2-yl-5,8-dihydropyrido[3,2-d]thiazine 7,7-dioxide
CID 67806203
2-methylidene-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine
CID 142484716
8λ6-thia-2,7,13-triazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene 8,8-dioxide
CID 146372466
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
[1-(4-methylphenyl)-4,4-dioxopyrido[2,3-e][1,3,4]thiadiazin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53151631
(5S,6R)-5,6-dimethyl-9λ6-thia-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene 9,9-dioxide
CID 146399863
[1-(4-chlorophenyl)-4,4-dioxopyrido[2,3-e][1,3,4]thiadiazin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53151641
1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperidin-4-ol
CID 171600518
1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
1-(3-amino-2-pyridinyl)imidazolidin-2-one
CID 155457116

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide?
The IUPAC name of 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide (CID 155096370) is 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide.
What is the SMILES notation for 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide?
The canonical SMILES for 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide is CC(C)N1CCS(=O)(=O)c2cccnc21.
What is the InChIKey of 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide?
The InChIKey is NCOWDCKQMOGQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8(2)12-6-7-15(13,14)9-4-3-5-11-10(9)12/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide?
4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide has a molecular weight of 226.30 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]thiazine 1,1-dioxide is sourced from PubChem (CID 155096370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).