1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

C17H24N2O2S — CID 118738809

IUPAC1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(C(=O)c1sccc1C)C2
InChIInChI=1S/C17H24N2O2S/c1-3-19-14(20)6-4-8-17(19)9-5-10-18(12-17)16(21)15-13(2)7-11-22-15/h7,11H,3-6,8-10,12H2,1-2H3
InChIKeyZFPVMYDGCQPGNO-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.06
Rot. Bonds2

About 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 118738809) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID118738809
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(C(=O)c1sccc1C)C2
InChIInChI=1S/C17H24N2O2S/c1-3-19-14(20)6-4-8-17(19)9-5-10-18(12-17)16(21)15-13(2)7-11-22-15/h7,11H,3-6,8-10,12H2,1-2H3
InChIKeyZFPVMYDGCQPGNO-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 118738809) is 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is CCN1C(=O)CCCC12CCCN(C(=O)c1sccc1C)C2.
What is the InChIKey of 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is ZFPVMYDGCQPGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-3-19-14(20)6-4-8-17(19)9-5-10-18(12-17)16(21)15-13(2)7-11-22-15/h7,11H,3-6,8-10,12H2,1-2H3.
What are the key properties of 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 320.46 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 118738809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).