9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one

C8H12N2O2S — CID 131166057

IUPAC9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1(C)COCC12NC(=S)NC2=O
InChIInChI=1S/C8H12N2O2S/c1-7(2)3-12-4-8(7)5(11)9-6(13)10-8/h3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyOBRANTOMMBTDQD-UHFFFAOYSA-N
MW200.26 g/mol
LogP-0.21
Rot. Bonds

About 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one

9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 131166057) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID131166057
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1(C)COCC12NC(=S)NC2=O
InChIInChI=1S/C8H12N2O2S/c1-7(2)3-12-4-8(7)5(11)9-6(13)10-8/h3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyOBRANTOMMBTDQD-UHFFFAOYSA-N
XLogP-0.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
CID 82997968
2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one
CID 130933847
(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
CID 139085548
7-methyl-2-sulfanylidene-1,3,7-triazaspiro[4.4]nonan-4-one
CID 82996204
7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 115563254
CID 174027814
CID 174027814
2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 107150443
5,5-dipropyl-2-sulfanylideneimidazolidin-4-one
CID 82997958
8-propyl-2-sulfanylidene-1,3,8-triazaspiro[4.5]decan-4-one
CID 82997209
2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
CID 19811070
5-[5-[3-(hydroxymethyl)phenyl]furan-2-yl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 89318364
9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one
CID 82997702

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one (CID 131166057) is 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one is CC1(C)COCC12NC(=S)NC2=O.
What is the InChIKey of 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is OBRANTOMMBTDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-7(2)3-12-4-8(7)5(11)9-6(13)10-8/h3-4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one?
9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 200.26 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 131166057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).