ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate

C11H21NO4S — CID 102884445

IUPACethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H21NO4S/c1-4-10(11(13)16-5-2)12-6-7-17(14,15)8-9(12)3/h9-10H,4-8H2,1-3H3
InChIKeyZLNVJYZWDADMSU-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.45
Rot. Bonds4

About ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate

ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate (PubChem CID 102884445) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
PubChem CID102884445
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nameethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H21NO4S/c1-4-10(11(13)16-5-2)12-6-7-17(14,15)8-9(12)3/h9-10H,4-8H2,1-3H3
InChIKeyZLNVJYZWDADMSU-UHFFFAOYSA-N
XLogP0.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide
CID 102883753
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102884394
ethyl 2-(methylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 102886224
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
ethyl 2-amino-2-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoate
CID 102886125
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885599
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
ethyl 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanoate
CID 102886211
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
CID 102886110
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propylpentan-1-amine
CID 102886877

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate?
The IUPAC name of ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate (CID 102884445) is ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate?
The canonical SMILES for ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate is CCOC(=O)C(CC)N1CCS(=O)(=O)CC1C.
What is the InChIKey of ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate?
The InChIKey is ZLNVJYZWDADMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-4-10(11(13)16-5-2)12-6-7-17(14,15)8-9(12)3/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate?
ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate has a molecular weight of 263.36 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate is sourced from PubChem (CID 102884445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).