7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one

C16H26N2O2S — CID 45227378

IUPAC7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSCC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C16H26N2O2S/c1-21-11-14(19)18-9-7-16(12-18)6-3-8-17(15(16)20)10-13-4-2-5-13/h13H,2-12H2,1H3
InChIKeyHBQPYIIJNUOUEJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.99
Rot. Bonds4

About 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45227378) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45227378
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCSCC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C16H26N2O2S/c1-21-11-14(19)18-9-7-16(12-18)6-3-8-17(15(16)20)10-13-4-2-5-13/h13H,2-12H2,1H3
InChIKeyHBQPYIIJNUOUEJ-UHFFFAOYSA-N
XLogP1.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45227378) is 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one is CSCC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HBQPYIIJNUOUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-21-11-14(19)18-9-7-16(12-18)6-3-8-17(15(16)20)10-13-4-2-5-13/h13H,2-12H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 310.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45227378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).