3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione

C18H24N2O4S — CID 154758985

IUPAC3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC(c1ccc(OC)c(OC)c1)N1C(=O)NC2(CCSCC2)C1=O
InChIInChI=1S/C18H24N2O4S/c1-4-13(12-5-6-14(23-2)15(11-12)24-3)20-16(21)18(19-17(20)22)7-9-25-10-8-18/h5-6,11,13H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyOCSVQXYACNGQNR-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.97
Rot. Bonds5

About 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione

3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 154758985) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID154758985
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC(c1ccc(OC)c(OC)c1)N1C(=O)NC2(CCSCC2)C1=O
InChIInChI=1S/C18H24N2O4S/c1-4-13(12-5-6-14(23-2)15(11-12)24-3)20-16(21)18(19-17(20)22)7-9-25-10-8-18/h5-6,11,13H,4,7-10H2,1-3H3,(H,19,22)
InChIKeyOCSVQXYACNGQNR-UHFFFAOYSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
4-(bromomethyl)-1-[1-(3,4-dimethoxyphenyl)propyl]pyrrolidin-2-one
CID 168503293
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-thiomorpholin-4-ylethanamine
CID 43105259
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
[2-methoxy-4-[(1R)-1-piperazin-1-ylpropyl]phenyl] acetate
CID 171293547
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
4-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]thiomorpholine
CID 30982621

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione (CID 154758985) is 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione is CCC(c1ccc(OC)c(OC)c1)N1C(=O)NC2(CCSCC2)C1=O.
What is the InChIKey of 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is OCSVQXYACNGQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-4-13(12-5-6-14(23-2)15(11-12)24-3)20-16(21)18(19-17(20)22)7-9-25-10-8-18/h5-6,11,13H,4,7-10H2,1-3H3,(H,19,22).
What are the key properties of 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 364.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethoxyphenyl)propyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 154758985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).