2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid

C11H13NO3S — CID 82377167

IUPAC2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid
SMILESCN1CC(C2CC2)Sc2cc(C(=O)O)oc21
InChIInChI=1S/C11H13NO3S/c1-12-5-9(6-2-3-6)16-8-4-7(11(13)14)15-10(8)12/h4,6,9H,2-3,5H2,1H3,(H,13,14)
InChIKeyGDVKCKLJTZFPPC-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.30
Rot. Bonds2

About 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid

2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid (PubChem CID 82377167) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid
PubChem CID82377167
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid
SMILESCN1CC(C2CC2)Sc2cc(C(=O)O)oc21
InChIInChI=1S/C11H13NO3S/c1-12-5-9(6-2-3-6)16-8-4-7(11(13)14)15-10(8)12/h4,6,9H,2-3,5H2,1H3,(H,13,14)
InChIKeyGDVKCKLJTZFPPC-UHFFFAOYSA-N
XLogP2.30
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetylspiro[3H-furo[3,2-b][1,4]thiazine-2,1'-cyclopropane]-6-carboxylic acid
CID 82377246
5-methyl-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103245559
7-methyl-3-oxa-9-thia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene-4-carboxylic acid
CID 96607532
5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 79079920
5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid
CID 64669427
3-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461861
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
2-cyclopropyl-1,2,3,4-tetrahydrofuro[2,3-b]pyrazine-6-carboxylic acid
CID 82377027
5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid
CID 62273798
2-cyclopropyl-5-methyl-3-oxo-4H-pyrrolo[3,2-b][1,4]thiazine-6-carboxylic acid
CID 82377582
3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid
CID 82376926
5-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]furan-2-carboxylic acid
CID 124595190

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid (CID 82377167) is 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid is CN1CC(C2CC2)Sc2cc(C(=O)O)oc21.
What is the InChIKey of 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid?
The InChIKey is GDVKCKLJTZFPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-12-5-9(6-2-3-6)16-8-4-7(11(13)14)15-10(8)12/h4,6,9H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid?
2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-2,3-dihydrofuro[3,2-b][1,4]thiazine-6-carboxylic acid is sourced from PubChem (CID 82377167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).