4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide

C8H10N2O3S — CID 122653203

IUPAC4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide
SMILESCC1CNS(=O)(=O)c2cccnc2O1
InChIInChI=1S/C8H10N2O3S/c1-6-5-10-14(11,12)7-3-2-4-9-8(7)13-6/h2-4,6,10H,5H2,1H3
InChIKeyNRPWGWAYLNZHGJ-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.14
Rot. Bonds

About 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide

4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide (PubChem CID 122653203) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide
PubChem CID122653203
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide
SMILESCC1CNS(=O)(=O)c2cccnc2O1
InChIInChI=1S/C8H10N2O3S/c1-6-5-10-14(11,12)7-3-2-4-9-8(7)13-6/h2-4,6,10H,5H2,1H3
InChIKeyNRPWGWAYLNZHGJ-UHFFFAOYSA-N
XLogP0.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-methyl-3,4-dihydro-2H-5,1λ6,2-benzoxathiazepine 1,1-dioxide
CID 101043785
7,10-dioxa-2λ6-thia-3,12-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene 2,2-dioxide
CID 146412927
1-[(3S,7R)-9,9-dioxo-2-oxa-9λ6-thia-5,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-5-yl]ethanone
CID 125418518
8λ6-thia-2,7,13-triazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene 8,8-dioxide
CID 146372466
cyclopropyl-(9,9-dioxo-2-oxa-9λ6-thia-5,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-5-yl)methanone
CID 162958710
(4S)-4-methyl-2,3,4,5-tetrahydro-1λ6,2-benzothiazepine 1,1-dioxide
CID 118170673
1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 150405091
(2R)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-ol
CID 15749761
tert-butyl 1,1-dioxospiro[2,3-dihydropyrido[2,3-b][1,4,5]oxathiazepine-4,3'-azetidine]-1'-carboxylate
CID 146399881
(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
3-[4-methyl-3-[(4-methyl-1,1-dioxo-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl)methyl]phenyl]-3-(1-methyl-2-oxo-4-pyridinyl)propanoic acid
CID 123608390
1'-(pyridin-4-ylmethyl)spiro[2,3-dihydropyrido[2,3-b][1,4,5]oxathiazepine-4,4'-piperidine] 1,1-dioxide
CID 118740597

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide?
The IUPAC name of 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide (CID 122653203) is 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide.
What is the SMILES notation for 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide?
The canonical SMILES for 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide is CC1CNS(=O)(=O)c2cccnc2O1.
What is the InChIKey of 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide?
The InChIKey is NRPWGWAYLNZHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-6-5-10-14(11,12)7-3-2-4-9-8(7)13-6/h2-4,6,10H,5H2,1H3.
What are the key properties of 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide?
4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide has a molecular weight of 214.25 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide is sourced from PubChem (CID 122653203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).