2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

C14H18N2O2S — CID 118738840

IUPAC2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O
InChIInChI=1S/C14H18N2O2S/c1-15-10-14(8-12(15)17)5-2-3-6-16(14)13(18)11-4-7-19-9-11/h4,7,9H,2-3,5-6,8,10H2,1H3
InChIKeyVZMYDQZIPNNISO-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.98
Rot. Bonds1

About 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 118738840) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID118738840
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O
InChIInChI=1S/C14H18N2O2S/c1-15-10-14(8-12(15)17)5-2-3-6-16(14)13(18)11-4-7-19-9-11/h4,7,9H,2-3,5-6,8,10H2,1H3
InChIKeyVZMYDQZIPNNISO-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (CID 118738840) is 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is CN1CC2(CCCCN2C(=O)c2ccsc2)CC1=O.
What is the InChIKey of 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is VZMYDQZIPNNISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-15-10-14(8-12(15)17)5-2-3-6-16(14)13(18)11-4-7-19-9-11/h4,7,9H,2-3,5-6,8,10H2,1H3.
What are the key properties of 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 278.38 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118738840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).