9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C19H22N2O2S — CID 56912689

IUPAC9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NCC2(CCCN(Cc3ccc(-c4ccccc4)s3)CC2)O1
InChIInChI=1S/C19H22N2O2S/c22-18-20-14-19(23-18)9-4-11-21(12-10-19)13-16-7-8-17(24-16)15-5-2-1-3-6-15/h1-3,5-8H,4,9-14H2,(H,20,22)
InChIKeyUNCMYLIIUNWYDU-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.88
Rot. Bonds3

About 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 56912689) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID56912689
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NCC2(CCCN(Cc3ccc(-c4ccccc4)s3)CC2)O1
InChIInChI=1S/C19H22N2O2S/c22-18-20-14-19(23-18)9-4-11-21(12-10-19)13-16-7-8-17(24-16)15-5-2-1-3-6-15/h1-3,5-8H,4,9-14H2,(H,20,22)
InChIKeyUNCMYLIIUNWYDU-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 77082470
(5S)-9-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715470
8-(2-hydroxy-2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 101161001
(5S)-9-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 99936096
3-methyl-9-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 74239736
4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid
CID 58256876
1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
CID 22762532
(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724392
(5R)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724391
1-(4-fluorophenyl)-3-(oxiran-2-ylmethyl)-8-[(5-phenylthiophen-2-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 22022211
9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56884136
6-[(5-phenylthiophen-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24918681

Frequently Asked Questions

What is the IUPAC name of 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 56912689) is 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1NCC2(CCCN(Cc3ccc(-c4ccccc4)s3)CC2)O1.
What is the InChIKey of 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is UNCMYLIIUNWYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18-20-14-19(23-18)9-4-11-21(12-10-19)13-16-7-8-17(24-16)15-5-2-1-3-6-15/h1-3,5-8H,4,9-14H2,(H,20,22).
What are the key properties of 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 342.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 56912689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).