2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide

C10H18N2O2S — CID 168788071

IUPAC2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide
SMILESCC(C)(C)C(=O)N=S1(=O)CC2(CNC2)C1
InChIInChI=1S/C10H18N2O2S/c1-9(2,3)8(13)12-15(14)6-10(7-15)4-11-5-10/h11H,4-7H2,1-3H3
InChIKeyVTVBWCWJHUNDCC-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.63
Rot. Bonds

About 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide

2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide (PubChem CID 168788071) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide
PubChem CID168788071
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide
SMILESCC(C)(C)C(=O)N=S1(=O)CC2(CNC2)C1
InChIInChI=1S/C10H18N2O2S/c1-9(2,3)8(13)12-15(14)6-10(7-15)4-11-5-10/h11H,4-7H2,1-3H3
InChIKeyVTVBWCWJHUNDCC-UHFFFAOYSA-N
XLogP0.63
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide (CID 168788071) is 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide is CC(C)(C)C(=O)N=S1(=O)CC2(CNC2)C1.
What is the InChIKey of 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide?
The InChIKey is VTVBWCWJHUNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-9(2,3)8(13)12-15(14)6-10(7-15)4-11-5-10/h11H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide?
2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide has a molecular weight of 230.33 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)propanamide is sourced from PubChem (CID 168788071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).