7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione

C7H9NO2S2 — CID 71600515

IUPAC7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione
SMILESCN1C(=O)CC2(SCCS2)C1=O
InChIInChI=1S/C7H9NO2S2/c1-8-5(9)4-7(6(8)10)11-2-3-12-7/h2-4H2,1H3
InChIKeyFLKNULVOMJRDKR-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.55
Rot. Bonds

About 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione

7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione (PubChem CID 71600515) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione.

Molecular Properties

Compound Name7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione
PubChem CID71600515
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Name7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione
SMILESCN1C(=O)CC2(SCCS2)C1=O
InChIInChI=1S/C7H9NO2S2/c1-8-5(9)4-7(6(8)10)11-2-3-12-7/h2-4H2,1H3
InChIKeyFLKNULVOMJRDKR-UHFFFAOYSA-N
XLogP0.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1,4-dimethylpiperidine-2,6-dione
CID 544425
2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid
CID 141172437
1',5,6-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-2',5'-dione
CID 90206835
2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one
CID 145461138
1,3,3-trimethylpiperidine-2,6-dione
CID 13462179
(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
CID 162402033
3,6,6-trimethyl-1,3-oxazinane-2,4-dione
CID 143011935
3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione
CID 119092959
5-methyl-1-thia-5-azaspiro[5.5]undecan-4-one
CID 91280510
4-ethyl-7,7-dimethyl-1,4-thiazepan-5-one
CID 18679243
1,3,3-trimethylazepane-2,7-dione
CID 71345372
1,3,3-trimethyl-5-methylidenepyrrolidin-2-one
CID 132820770

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione?
The IUPAC name of 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione (CID 71600515) is 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione.
What is the SMILES notation for 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione?
The canonical SMILES for 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione is CN1C(=O)CC2(SCCS2)C1=O.
What is the InChIKey of 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione?
The InChIKey is FLKNULVOMJRDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c1-8-5(9)4-7(6(8)10)11-2-3-12-7/h2-4H2,1H3.
What are the key properties of 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione?
7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione has a molecular weight of 203.29 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione is sourced from PubChem (CID 71600515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).