ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate

C15H19NO5S — CID 24868155

IUPACethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate
SMILESCCOC(=O)N1C(COCc2ccccc2)C=CCS1(=O)=O
InChIInChI=1S/C15H19NO5S/c1-2-21-15(17)16-14(9-6-10-22(16,18)19)12-20-11-13-7-4-3-5-8-13/h3-9,14H,2,10-12H2,1H3
InChIKeyULHUIBBRQQRBSD-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.93
Rot. Bonds5

About ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate

ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate (PubChem CID 24868155) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate
PubChem CID24868155
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Nameethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate
SMILESCCOC(=O)N1C(COCc2ccccc2)C=CCS1(=O)=O
InChIInChI=1S/C15H19NO5S/c1-2-21-15(17)16-14(9-6-10-22(16,18)19)12-20-11-13-7-4-3-5-8-13/h3-9,14H,2,10-12H2,1H3
InChIKeyULHUIBBRQQRBSD-UHFFFAOYSA-N
XLogP1.93
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-(2-sulfamoylethyl)carbamate
CID 11615848
Benzyl 3-(chlorosulfonyl)azetidine-1-carboxylate
CID 54592994
(2S)-N-(Benzyloxycarbonyl)-2-methyltaurine fluoride
CID 44157971
benzyl N-[(2S)-1-fluorosulfonyl-3-methylbutan-2-yl]carbamate
CID 44157973
Benzyl 4-(chlorosulfonyl)piperidine-1-carboxylate
CID 21931260
Benzyl 3-(chlorosulfonyl)piperidine-1-carboxylate
CID 54592806
Benzyl 4-(ethenesulfonyl)piperazine-1-carboxylate
CID 66698098
Benzyl 3-sulfamoylazetidine-1-carboxylate
CID 72133015
Benzyl 2-[(chlorosulfonyl)methyl]morpholine-4-carboxylate
CID 119030847
benzyl N-[(2R)-1-(chlorosulfonyl)propan-2-yl]carbamate
CID 130236382
(5R)-4-methyl-5-(phenylmethoxymethyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 49865981
[(3S)-1,1-dioxo-3-(phenylmethoxymethyl)-3H-1,2-thiazol-2-yl]-morpholin-4-ylmethanone
CID 51360520

Frequently Asked Questions

What is the IUPAC name of ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate?
The IUPAC name of ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate (CID 24868155) is ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate.
What is the SMILES notation for ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate?
The canonical SMILES for ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate is CCOC(=O)N1C(COCc2ccccc2)C=CCS1(=O)=O.
What is the InChIKey of ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate?
The InChIKey is ULHUIBBRQQRBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-2-21-15(17)16-14(9-6-10-22(16,18)19)12-20-11-13-7-4-3-5-8-13/h3-9,14H,2,10-12H2,1H3.
What are the key properties of ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate?
ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,1-dioxo-3-(phenylmethoxymethyl)-3,6-dihydrothiazine-2-carboxylate is sourced from PubChem (CID 24868155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).