propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate

C9H17NO4S — CID 80518970

IUPACpropyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
SMILESCCCOC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C9H17NO4S/c1-2-4-14-9(11)6-8-7-15(12,13)5-3-10-8/h8,10H,2-7H2,1H3
InChIKeyDPMCXGQACBXNGA-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.28
Rot. Bonds4

About propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate

propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate (PubChem CID 80518970) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
PubChem CID80518970
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namepropyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
SMILESCCCOC(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C9H17NO4S/c1-2-4-14-9(11)6-8-7-15(12,13)5-3-10-8/h8,10H,2-7H2,1H3
InChIKeyDPMCXGQACBXNGA-UHFFFAOYSA-N
XLogP-0.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate 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

pentyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518817
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-propoxyphenyl)ethanone
CID 116595481
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide
CID 82723055
(4-methoxyphenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80515049
1-(1,1-dioxo-1,4-thiazinan-3-yl)dodecan-2-one
CID 116595448
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
CID 116595583
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519883
(3,4-dimethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518802
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
(3-methoxyphenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80515046

Frequently Asked Questions

What is the IUPAC name of propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate?
The IUPAC name of propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate (CID 80518970) is propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate.
What is the SMILES notation for propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate?
The canonical SMILES for propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate is CCCOC(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate?
The InChIKey is DPMCXGQACBXNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-4-14-9(11)6-8-7-15(12,13)5-3-10-8/h8,10H,2-7H2,1H3.
What are the key properties of propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate?
propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate has a molecular weight of 235.30 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate is sourced from PubChem (CID 80518970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).