1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide

C16H23N3O2S — CID 118738782

IUPAC1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCC(C)NC(=O)N1CCCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C16H23N3O2S/c1-12(2)17-15(21)18-7-3-5-16(11-18)6-8-19(14(16)20)13-4-9-22-10-13/h4,9-10,12H,3,5-8,11H2,1-2H3,(H,17,21)
InChIKeySOZKAWAZJPDRIR-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.68
Rot. Bonds2

About 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide

1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 118738782) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID118738782
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCC(C)NC(=O)N1CCCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C16H23N3O2S/c1-12(2)17-15(21)18-7-3-5-16(11-18)6-8-19(14(16)20)13-4-9-22-10-13/h4,9-10,12H,3,5-8,11H2,1-2H3,(H,17,21)
InChIKeySOZKAWAZJPDRIR-UHFFFAOYSA-N
XLogP2.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide (CID 118738782) is 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide is CC(C)NC(=O)N1CCCC2(CCN(c3ccsc3)C2=O)C1.
What is the InChIKey of 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is SOZKAWAZJPDRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12(2)17-15(21)18-7-3-5-16(11-18)6-8-19(14(16)20)13-4-9-22-10-13/h4,9-10,12H,3,5-8,11H2,1-2H3,(H,17,21).
What are the key properties of 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide?
1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 118738782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).