2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide

C16H28N2O2S — CID 71976192

IUPAC2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C16H28N2O2S/c1-15(2,3)14(20)17-11-13(19)18-9-10-21-16(12-18)7-5-4-6-8-16/h4-12H2,1-3H3,(H,17,20)
InChIKeyGYQZRTQQXWPYFI-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.43
Rot. Bonds2

About 2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide (PubChem CID 71976192) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide
PubChem CID71976192
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C16H28N2O2S/c1-15(2,3)14(20)17-11-13(19)18-9-10-21-16(12-18)7-5-4-6-8-16/h4-12H2,1-3H3,(H,17,20)
InChIKeyGYQZRTQQXWPYFI-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.43
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-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide (CID 71976192) is 2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)N1CCSC2(CCCCC2)C1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide?
The InChIKey is GYQZRTQQXWPYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-15(2,3)14(20)17-11-13(19)18-9-10-21-16(12-18)7-5-4-6-8-16/h4-12H2,1-3H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide has a molecular weight of 312.48 g/mol, XLogP of 2.43, 2 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-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)ethyl]propanamide is sourced from PubChem (CID 71976192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).