6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C14H20N2OS — CID 83238940

IUPAC6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)N1C(=O)C2(CC2)NC1c1ccc(C)s1
InChIInChI=1S/C14H20N2OS/c1-4-9(2)16-12(11-6-5-10(3)18-11)15-14(7-8-14)13(16)17/h5-6,9,12,15H,4,7-8H2,1-3H3
InChIKeyKBLUOZVUMPKFIY-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.82
Rot. Bonds3

About 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83238940) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83238940
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)N1C(=O)C2(CC2)NC1c1ccc(C)s1
InChIInChI=1S/C14H20N2OS/c1-4-9(2)16-12(11-6-5-10(3)18-11)15-14(7-8-14)13(16)17/h5-6,9,12,15H,4,7-8H2,1-3H3
InChIKeyKBLUOZVUMPKFIY-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83238940) is 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is CCC(C)N1C(=O)C2(CC2)NC1c1ccc(C)s1.
What is the InChIKey of 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is KBLUOZVUMPKFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-9(2)16-12(11-6-5-10(3)18-11)15-14(7-8-14)13(16)17/h5-6,9,12,15H,4,7-8H2,1-3H3.
What are the key properties of 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 264.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83238940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).