(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C20H22N2O2S — CID 97471900

IUPAC(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCN1CC[C@]2(CN(C(=O)c3ccsc3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C20H22N2O2S/c1-2-21-10-9-20(19(21)24)14-22(18(23)16-8-11-25-13-16)12-17(20)15-6-4-3-5-7-15/h3-8,11,13,17H,2,9-10,12,14H2,1H3/t17-,20+/m0/s1
InChIKeyUGNIQCCKHVFQRA-FXAWDEMLSA-N
MW354.48 g/mol
LogP3.23
Rot. Bonds3

About (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471900) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471900
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCN1CC[C@]2(CN(C(=O)c3ccsc3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C20H22N2O2S/c1-2-21-10-9-20(19(21)24)14-22(18(23)16-8-11-25-13-16)12-17(20)15-6-4-3-5-7-15/h3-8,11,13,17H,2,9-10,12,14H2,1H3/t17-,20+/m0/s1
InChIKeyUGNIQCCKHVFQRA-FXAWDEMLSA-N
XLogP3.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471880
(5R,9R)-2-methyl-9-phenyl-7-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124821965
(5S,9S)-2-ethyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471899
10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131660635
(5S,9S)-2-ethyl-9-methyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155831092
(5S,9S)-7-(cyclopent-3-ene-1-carbonyl)-9-phenyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471930
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131659093
4-benzyl-1-(thiophene-3-carbonyl)-1,4-diazepan-5-one
CID 26360657
(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 140624874
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373851
11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502645
3-benzyl-8-(thiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278770

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97471900) is (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is CCN1CC[C@]2(CN(C(=O)c3ccsc3)C[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is UGNIQCCKHVFQRA-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-21-10-9-20(19(21)24)14-22(18(23)16-8-11-25-13-16)12-17(20)15-6-4-3-5-7-15/h3-8,11,13,17H,2,9-10,12,14H2,1H3/t17-,20+/m0/s1.
What are the key properties of (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 354.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).