methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate

C10H16N2O3S — CID 22894548

IUPACmethyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate
SMILESCNC1CSC2CCC(C(=O)OC)N2C1=O
InChIInChI=1S/C10H16N2O3S/c1-11-6-5-16-8-4-3-7(10(14)15-2)12(8)9(6)13/h6-8,11H,3-5H2,1-2H3
InChIKeyGWHBNKYUUYYYIO-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.19
Rot. Bonds2

About methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate

methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate (PubChem CID 22894548) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate
PubChem CID22894548
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Namemethyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate
SMILESCNC1CSC2CCC(C(=O)OC)N2C1=O
InChIInChI=1S/C10H16N2O3S/c1-11-6-5-16-8-4-3-7(10(14)15-2)12(8)9(6)13/h6-8,11H,3-5H2,1-2H3
InChIKeyGWHBNKYUUYYYIO-UHFFFAOYSA-N
XLogP-0.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate with MolForge

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Related Compounds

[(1-Oxo-hexahydro-pyrrolo[2,1-c][1,4]thiazine-4-carbonyl)-amino]-acetic acid methyl ester
CID 59159408
methyl (3R,6S,8aS)-5-oxo-6-[(2,2,2-trifluoroacetyl)amino]-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 11163176
methyl (2S,4R)-4-{[(isopropylthio)acetyl]amino}-1-methylpyrrolidine-2-carboxylate
CID 50961504
Butyl 1,1-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 12613550
Methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate
CID 12613554
L-methionyl-L-proline dipeptide
CID 11893571
H-Met-Pro-OMe
CID 14302366
methyl (2S)-1-(2-aminoethylsulfanylcarbonyl)pyrrolidine-2-carboxylate
CID 18634726
Methyl 1-(2-aminoethylsulfanylcarbonyl)pyrrolidine-2-carboxylate
CID 19851851
2-(2-Amino-3,3-dimethyl-butyryl)-6,10-dithia-2-aza-spiro[4.5]decane-3-carboxylic acid methyl ester
CID 21054030
N-(1(S)-methoxycarbonyl-3-methylthiopropyl)-DL-alanyl-L-proline
CID 22822731
2-[(R)-2-methoxycarbonylpyrrolidino]carbonylthioethylamine
CID 53704324

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate?
The IUPAC name of methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate (CID 22894548) is methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate.
What is the SMILES notation for methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate?
The canonical SMILES for methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate is CNC1CSC2CCC(C(=O)OC)N2C1=O.
What is the InChIKey of methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate?
The InChIKey is GWHBNKYUUYYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-11-6-5-16-8-4-3-7(10(14)15-2)12(8)9(6)13/h6-8,11H,3-5H2,1-2H3.
What are the key properties of methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate?
methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate has a molecular weight of 244.32 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate is sourced from PubChem (CID 22894548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).