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

C14H15ClN2O2S — CID 56824692

IUPAC3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCSCC2)C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c15-11-4-2-1-3-10(11)9-17-12(18)14(16-13(17)19)5-7-20-8-6-14/h1-4H,5-9H2,(H,16,19)
InChIKeyZKCDDIPKBXVIFQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.66
Rot. Bonds2

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

3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 56824692) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID56824692
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCSCC2)C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c15-11-4-2-1-3-10(11)9-17-12(18)14(16-13(17)19)5-7-20-8-6-14/h1-4H,5-9H2,(H,16,19)
InChIKeyZKCDDIPKBXVIFQ-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(2-chlorophenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30479318
8-[2-(2-chlorophenyl)acetyl]-3-[(2-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278758
3-[(2-chlorophenyl)methyl]-8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277512
3-[3-[(2-chlorophenyl)methylamino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 47010170
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
5-(2-chlorophenyl)-3-[(2-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3689298
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278754
3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 107309588
3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276944
3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277160
1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946288

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione (CID 56824692) is 3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCSCC2)C(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZKCDDIPKBXVIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-11-4-2-1-3-10(11)9-17-12(18)14(16-13(17)19)5-7-20-8-6-14/h1-4H,5-9H2,(H,16,19).
What are the key properties of 3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 310.81 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 56824692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).