10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

C17H23N3O3S — CID 131660635

IUPAC10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1CC2(CC1=O)CN(C(C)=O)CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C17H23N3O3S/c1-3-18-10-17(8-15(18)22)11-19(13(2)21)5-6-20(12-17)16(23)14-4-7-24-9-14/h4,7,9H,3,5-6,8,10-12H2,1-2H3
InChIKeyZOIZIIAOXAIEMS-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.29
Rot. Bonds2

About 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 131660635) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID131660635
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1CC2(CC1=O)CN(C(C)=O)CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C17H23N3O3S/c1-3-18-10-17(8-15(18)22)11-19(13(2)21)5-6-20(12-17)16(23)14-4-7-24-9-14/h4,7,9H,3,5-6,8,10-12H2,1-2H3
InChIKeyZOIZIIAOXAIEMS-UHFFFAOYSA-N
XLogP1.29
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-10-acetyl-7-(4-chlorobenzoyl)-2-ethyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97439032
10-acetyl-2-ethyl-7-(1H-pyrrole-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131696238
(5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360190
2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131639415
(5R)-2-methyl-3-oxo-N-propan-2-yl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360137
2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131654839
(5S)-10-(4-chlorobenzoyl)-2-ethyl-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360282
2-ethyl-10-(4-methoxybenzoyl)-7-methylsulfonyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 134076922
10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 155900743
(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471900
(5S)-10-acetyl-2-ethyl-7-(oxane-4-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360196
(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360161

Frequently Asked Questions

What is the IUPAC name of 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (CID 131660635) is 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is CCN1CC2(CC1=O)CN(C(C)=O)CCN(C(=O)c1ccsc1)C2.
What is the InChIKey of 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is ZOIZIIAOXAIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-18-10-17(8-15(18)22)11-19(13(2)21)5-6-20(12-17)16(23)14-4-7-24-9-14/h4,7,9H,3,5-6,8,10-12H2,1-2H3.
What are the key properties of 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 349.46 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131660635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).