1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone

C14H21NO4S — CID 138051244

IUPAC1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone
SMILESCC(C)(C)C1CS(=O)(=O)CCN1C(=O)Cc1ccoc1
InChIInChI=1S/C14H21NO4S/c1-14(2,3)12-10-20(17,18)7-5-15(12)13(16)8-11-4-6-19-9-11/h4,6,9,12H,5,7-8,10H2,1-3H3
InChIKeyJBDKWVUPQOAVKD-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.49
Rot. Bonds2

About 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone

1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone (PubChem CID 138051244) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone
PubChem CID138051244
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone
SMILESCC(C)(C)C1CS(=O)(=O)CCN1C(=O)Cc1ccoc1
InChIInChI=1S/C14H21NO4S/c1-14(2,3)12-10-20(17,18)7-5-15(12)13(16)8-11-4-6-19-9-11/h4,6,9,12H,5,7-8,10H2,1-3H3
InChIKeyJBDKWVUPQOAVKD-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone with MolForge

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Related Compounds

1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1-ethylpyrazol-3-yl)ethanone
CID 146141517
tert-butyl 5-[2-(furan-3-yl)acetyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 126818961
furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 99816902
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 125179712
N-(furan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 154737989
3-ethoxy-1-(furan-3-yl)-3-methylpentan-2-one
CID 116746851
3-[1-chloro-2-(chloromethyl)-3-(furan-3-yl)propan-2-yl]thiolane 1,1-dioxide
CID 83183035
3-tert-butyl-4-methyl-1,4-thiazinane 1,1-dioxide
CID 90181177
5-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)furan-3-carboxylic acid
CID 102885555
2-(1,1-dioxothiolan-3-yl)-3-(furan-3-yl)propanoic acid
CID 83172762
2-[1-[2-(furan-3-yl)acetyl]piperidin-4-yl]-N-methylacetamide
CID 138995042
1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone
CID 115795938

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone (CID 138051244) is 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone is CC(C)(C)C1CS(=O)(=O)CCN1C(=O)Cc1ccoc1.
What is the InChIKey of 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone?
The InChIKey is JBDKWVUPQOAVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-14(2,3)12-10-20(17,18)7-5-15(12)13(16)8-11-4-6-19-9-11/h4,6,9,12H,5,7-8,10H2,1-3H3.
What are the key properties of 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone?
1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone has a molecular weight of 299.39 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 138051244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).