(4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone

C16H23NO4S2 — CID 124869887

IUPAC(4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)c(C)s1)C2
InChIInChI=1S/C16H23NO4S2/c1-4-21-8-13-5-6-23(19,20)16(13)9-17(10-16)15(18)14-7-11(2)12(3)22-14/h7,13H,4-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyDJNKLLATQYIJST-CYBMUJFWSA-N
MW357.50 g/mol
LogP2.03
Rot. Bonds4

About (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone

(4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124869887) has the molecular formula C16H23NO4S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID124869887
Molecular FormulaC16H23NO4S2
Molecular Weight357.50 g/mol
Exact Mass357.11
IUPAC Name(4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)c(C)s1)C2
InChIInChI=1S/C16H23NO4S2/c1-4-21-8-13-5-6-23(19,20)16(13)9-17(10-16)15(18)14-7-11(2)12(3)22-14/h7,13H,4-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyDJNKLLATQYIJST-CYBMUJFWSA-N
XLogP2.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone with MolForge

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 133143160
[(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124809833
2-ethoxy-1-[8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131669103
[(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 124912360
[(8S)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 124794690
8-(ethoxymethyl)-2-[(4-methylphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131652580
(4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131652187
1-[(8R)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 124821417
(8S)-8-(ethoxymethyl)-2-(pyridin-4-ylmethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 124870152
[(8S)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 124817712
1-[(8R)-8-(methoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 124822176
(4,5-dimethylthiophen-2-yl)-[8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155844967

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124869887) is (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone is CCOC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1cc(C)c(C)s1)C2.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is DJNKLLATQYIJST-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO4S2/c1-4-21-8-13-5-6-23(19,20)16(13)9-17(10-16)15(18)14-7-11(2)12(3)22-14/h7,13H,4-6,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone?
(4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-[(8R)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124869887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).