7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one

C10H16N2OS — CID 115563254

IUPAC7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
SMILESCC1(C)CCCC2(C1)NC(=S)NC2=O
InChIInChI=1S/C10H16N2OS/c1-9(2)4-3-5-10(6-9)7(13)11-8(14)12-10/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyJHZZGQUNZULYDQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.33
Rot. Bonds

About 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one

7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one (PubChem CID 115563254) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
PubChem CID115563254
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
SMILESCC1(C)CCCC2(C1)NC(=S)NC2=O
InChIInChI=1S/C10H16N2OS/c1-9(2)4-3-5-10(6-9)7(13)11-8(14)12-10/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyJHZZGQUNZULYDQ-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.33
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

2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one
CID 130933847
9-ethyl-2-sulfanylidene-1,3,9-triazaspiro[4.6]undecan-4-one
CID 82997702
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
7,7,9,9-tetramethyl-2-methylimino-1,3-diazaspiro[4.5]decan-4-one
CID 136998359
9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
CID 131166057
3,7-diazatricyclo[3.3.3.01,5]undecane-2,4,6,8-tetrone
CID 71358860
spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione
CID 9429848
2,4,6,8-tetrazatricyclo[3.3.3.01,5]undecane-3,7-dithione
CID 130014414

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one?
The IUPAC name of 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one (CID 115563254) is 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one is CC1(C)CCCC2(C1)NC(=S)NC2=O.
What is the InChIKey of 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one?
The InChIKey is JHZZGQUNZULYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-9(2)4-3-5-10(6-9)7(13)11-8(14)12-10/h3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one?
7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one has a molecular weight of 212.32 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 115563254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).