(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide

C18H23N3O3S — CID 40810140

IUPAC(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)Sc1ccccc1)C2=O
InChIInChI=1S/C18H23N3O3S/c1-12-8-10-18(11-9-12)16(23)21(17(24)19-18)20-15(22)13(2)25-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,24)(H,20,22)/t12?,13-,18?/m0/s1
InChIKeyJNKFFOCGAMRDDQ-XYEKJYRLSA-N
MW361.47 g/mol
LogP2.70
Rot. Bonds4

About (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide

(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide (PubChem CID 40810140) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide
PubChem CID40810140
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)Sc1ccccc1)C2=O
InChIInChI=1S/C18H23N3O3S/c1-12-8-10-18(11-9-12)16(23)21(17(24)19-18)20-15(22)13(2)25-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,24)(H,20,22)/t12?,13-,18?/m0/s1
InChIKeyJNKFFOCGAMRDDQ-XYEKJYRLSA-N
XLogP2.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide
CID 27802506
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 26652596
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132494
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749
benzhydryl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8596083
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326752
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928321
N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide
CID 86990920
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658691
6-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-2-carboxamide
CID 32645806
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 99882068
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24556938

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide (CID 40810140) is (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide is CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H](C)Sc1ccccc1)C2=O.
What is the InChIKey of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide?
The InChIKey is JNKFFOCGAMRDDQ-XYEKJYRLSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-8-10-18(11-9-12)16(23)21(17(24)19-18)20-15(22)13(2)25-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,24)(H,20,22)/t12?,13-,18?/m0/s1.
What are the key properties of (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide?
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide has a molecular weight of 361.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 40810140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).