3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide

C18H23N3O3S — CID 9483144

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCSc1ccccc1
InChIInChI=1S/C18H23N3O3S/c22-15(19-11-13-25-14-6-2-1-3-7-14)8-12-21-16(23)18(20-17(21)24)9-4-5-10-18/h1-3,6-7H,4-5,8-13H2,(H,19,22)(H,20,24)
InChIKeyCETCSPICVSBIQN-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.15
Rot. Bonds7

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 9483144) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide
PubChem CID9483144
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCSc1ccccc1
InChIInChI=1S/C18H23N3O3S/c22-15(19-11-13-25-14-6-2-1-3-7-14)8-12-21-16(23)18(20-17(21)24)9-4-5-10-18/h1-3,6-7H,4-5,8-13H2,(H,19,22)(H,20,24)
InChIKeyCETCSPICVSBIQN-UHFFFAOYSA-N
XLogP2.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 9206336
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 38448455
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9453956
N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
N-(3,3-dimethyl-1-phenylbutyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55689995
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 27615256
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3,3-diphenylpropyl)acetamide
CID 47093726
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide (CID 9483144) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCSc1ccccc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is CETCSPICVSBIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-15(19-11-13-25-14-6-2-1-3-7-14)8-12-21-16(23)18(20-17(21)24)9-4-5-10-18/h1-3,6-7H,4-5,8-13H2,(H,19,22)(H,20,24).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 9483144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).