6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid

C10H12N2O2S — CID 82377721

IUPAC6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid
SMILESCn1cc2c(c1C(=O)O)NCC1(CC1)S2
InChIInChI=1S/C10H12N2O2S/c1-12-4-6-7(8(12)9(13)14)11-5-10(15-6)2-3-10/h4,11H,2-3,5H2,1H3,(H,13,14)
InChIKeyMAYWRQJKSPOZGU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.77
Rot. Bonds1

About 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid

6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid (PubChem CID 82377721) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid.

Molecular Properties

Compound Name6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid
PubChem CID82377721
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid
SMILESCn1cc2c(c1C(=O)O)NCC1(CC1)S2
InChIInChI=1S/C10H12N2O2S/c1-12-4-6-7(8(12)9(13)14)11-5-10(15-6)2-3-10/h4,11H,2-3,5H2,1H3,(H,13,14)
InChIKeyMAYWRQJKSPOZGU-UHFFFAOYSA-N
XLogP1.77
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid with MolForge

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Related Compounds

6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopentane]-7-carboxylic acid
CID 82377717
spiro[2,5-dihydro-1H-pyrrolo[2,3-b][1,4]thiazine-3,1'-cyclopropane]-6-carboxylic acid
CID 82377526
5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115096973
5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115096974
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]-6-ol
CID 115097061
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]-5-ol
CID 115097342
6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82377604
7-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115097143
6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid
CID 82375752
5-ethyl-3-spiro[3,4-dihydrothiochromene-2,1'-cyclohexane]-4-yl-2-sulfanylidene-1H-imidazole-4-carboxylic acid
CID 68939271
6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid
CID 82377608
4-acetylspiro[3H-furo[3,2-b][1,4]thiazine-2,1'-cyclopropane]-6-carboxylic acid
CID 82377246

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid?
The IUPAC name of 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid (CID 82377721) is 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid.
What is the SMILES notation for 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid?
The canonical SMILES for 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid is Cn1cc2c(c1C(=O)O)NCC1(CC1)S2.
What is the InChIKey of 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid?
The InChIKey is MAYWRQJKSPOZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-12-4-6-7(8(12)9(13)14)11-5-10(15-6)2-3-10/h4,11H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid?
6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid is sourced from PubChem (CID 82377721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).