2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one

C8H12N2OS — CID 130933847

IUPAC2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one
SMILESCC1(C)CC2(C1)NC(=S)NC2=O
InChIInChI=1S/C8H12N2OS/c1-7(2)3-8(4-7)5(11)9-6(12)10-8/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyDSSRHENXPJINAU-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.55
Rot. Bonds

About 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one

2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one (PubChem CID 130933847) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one.

Molecular Properties

Compound Name2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one
PubChem CID130933847
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one
SMILESCC1(C)CC2(C1)NC(=S)NC2=O
InChIInChI=1S/C8H12N2OS/c1-7(2)3-8(4-7)5(11)9-6(12)10-8/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyDSSRHENXPJINAU-UHFFFAOYSA-N
XLogP0.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 115563254
7,7,9,9-tetramethyl-2-methylimino-1,3-diazaspiro[4.5]decan-4-one
CID 136998359
7-methyl-2-sulfanylidene-1,3,7-triazaspiro[4.4]nonan-4-one
CID 82996204
8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 82996588
2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
CID 82997968
8-propyl-2-sulfanylidene-1,3,8-triazaspiro[4.5]decan-4-one
CID 82997209
(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
CID 139085548
9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one
CID 82997702
9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
CID 131166057
7,7,9,9-tetramethyl-2-azaspiro[4.5]decane-1,3-dione
CID 112682590
2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone
CID 44552395
4-amino-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 103961652

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one?
The IUPAC name of 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one (CID 130933847) is 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one.
What is the SMILES notation for 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one?
The canonical SMILES for 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one is CC1(C)CC2(C1)NC(=S)NC2=O.
What is the InChIKey of 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one?
The InChIKey is DSSRHENXPJINAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-7(2)3-8(4-7)5(11)9-6(12)10-8/h3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one?
2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one has a molecular weight of 184.26 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one is sourced from PubChem (CID 130933847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).