(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C16H22N2O3S — CID 97471699

IUPAC(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@]2(CN(C(=O)c3cccs3)C[C@H]2C)C1=O
InChIInChI=1S/C16H22N2O3S/c1-12-10-18(14(19)13-4-3-9-22-13)11-16(12)5-6-17(15(16)20)7-8-21-2/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-,16-/m1/s1
InChIKeyHPBUCMVQQSUJNM-MLGOLLRUSA-N
MW322.43 g/mol
LogP1.71
Rot. Bonds4

About (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471699) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471699
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CC[C@]2(CN(C(=O)c3cccs3)C[C@H]2C)C1=O
InChIInChI=1S/C16H22N2O3S/c1-12-10-18(14(19)13-4-3-9-22-13)11-16(12)5-6-17(15(16)20)7-8-21-2/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-,16-/m1/s1
InChIKeyHPBUCMVQQSUJNM-MLGOLLRUSA-N
XLogP1.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97471699) is (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CC[C@]2(CN(C(=O)c3cccs3)C[C@H]2C)C1=O.
What is the InChIKey of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is HPBUCMVQQSUJNM-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-10-18(14(19)13-4-3-9-22-13)11-16(12)5-6-17(15(16)20)7-8-21-2/h3-4,9,12H,5-8,10-11H2,1-2H3/t12-,16-/m1/s1.
What are the key properties of (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 322.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).