3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

C11H21NO5S — CID 58283303

IUPAC3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCOCCCOC(=O)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO5S/c1-16-7-2-8-17-11(13)3-4-12-5-9-18(14,15)10-6-12/h2-10H2,1H3
InChIKeySIRFKCPXYVVSHS-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.31
Rot. Bonds7

About 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (PubChem CID 58283303) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.

Molecular Properties

Compound Name3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
PubChem CID58283303
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCOCCCOC(=O)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO5S/c1-16-7-2-8-17-11(13)3-4-12-5-9-18(14,15)10-6-12/h2-10H2,1H3
InChIKeySIRFKCPXYVVSHS-UHFFFAOYSA-N
XLogP-0.31
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate 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

3,3,5,5,5-pentafluoropentyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283295
butyl 3-(aziridin-1-yl)propanoate;methane
CID 160985577
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
3-hydroxypropyl 3-(aziridin-1-yl)propanoate
CID 20582016
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl octadec-9-enoate
CID 76740441
2-[2-[3-(4-methylpiperazin-1-yl)propanoyloxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 59193459
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol
CID 106246276
1-O-methyl 4-O-[2-(4-methylpiperazin-1-yl)ethyl] butanedioate
CID 166761469
2-adamantyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283192
N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide
CID 43581216
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The IUPAC name of 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (CID 58283303) is 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.
What is the SMILES notation for 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The canonical SMILES for 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is COCCCOC(=O)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The InChIKey is SIRFKCPXYVVSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-16-7-2-8-17-11(13)3-4-12-5-9-18(14,15)10-6-12/h2-10H2,1H3.
What are the key properties of 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate has a molecular weight of 279.36 g/mol, XLogP of -0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is sourced from PubChem (CID 58283303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).