7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H24N2O2S — CID 72922240

IUPAC7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1scc(C(=O)N2CCC3(CCCN(C)C3=O)C2)c1-c1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-15-18(16-7-4-3-5-8-16)17(13-26-15)19(24)23-12-10-21(14-23)9-6-11-22(2)20(21)25/h3-5,7-8,13H,6,9-12,14H2,1-2H3
InChIKeyGHCQRSZQVXSIDK-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.81
Rot. Bonds2

About 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72922240) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72922240
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1scc(C(=O)N2CCC3(CCCN(C)C3=O)C2)c1-c1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-15-18(16-7-4-3-5-8-16)17(13-26-15)19(24)23-12-10-21(14-23)9-6-11-22(2)20(21)25/h3-5,7-8,13H,6,9-12,14H2,1-2H3
InChIKeyGHCQRSZQVXSIDK-UHFFFAOYSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-7-(5-methyl-4-phenylthiophene-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90647729
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone
CID 97125853
7-methyl-2-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56741799
7-methyl-2-(2-morpholin-4-ylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922576
(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97113542
(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542
7-methyl-2-(1-phenylcyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907513
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
(5-methyl-4-phenylthiophen-3-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 135119045
7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 169211424
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658
7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56751168

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72922240) is 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1scc(C(=O)N2CCC3(CCCN(C)C3=O)C2)c1-c1ccccc1.
What is the InChIKey of 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GHCQRSZQVXSIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-18(16-7-4-3-5-8-16)17(13-26-15)19(24)23-12-10-21(14-23)9-6-11-22(2)20(21)25/h3-5,7-8,13H,6,9-12,14H2,1-2H3.
What are the key properties of 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.50 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72922240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).