2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C16H22N2O2S — CID 72915727

IUPAC2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1cc(C(=O)N2CCC3(CCCNC3=O)C2)cs1
InChIInChI=1S/C16H22N2O2S/c1-2-4-13-9-12(10-21-13)14(19)18-8-6-16(11-18)5-3-7-17-15(16)20/h9-10H,2-8,11H2,1H3,(H,17,20)
InChIKeyVNFBJUGFIWJOPM-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.44
Rot. Bonds3

About 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72915727) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72915727
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1cc(C(=O)N2CCC3(CCCNC3=O)C2)cs1
InChIInChI=1S/C16H22N2O2S/c1-2-4-13-9-12(10-21-13)14(19)18-8-6-16(11-18)5-3-7-17-15(16)20/h9-10H,2-8,11H2,1H3,(H,17,20)
InChIKeyVNFBJUGFIWJOPM-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72915727) is 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCc1cc(C(=O)N2CCC3(CCCNC3=O)C2)cs1.
What is the InChIKey of 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VNFBJUGFIWJOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-4-13-9-12(10-21-13)14(19)18-8-6-16(11-18)5-3-7-17-15(16)20/h9-10H,2-8,11H2,1H3,(H,17,20).
What are the key properties of 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 306.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72915727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).