8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H19N3O2S — CID 2696765

IUPAC8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccsc1C=NN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C15H19N3O2S/c1-10-3-6-15(7-4-10)13(19)18(14(20)17-15)16-9-12-11(2)5-8-21-12/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,20)
InChIKeyPNNKUKRNJCQJJA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.89
Rot. Bonds2

About 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2696765) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2696765
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccsc1C=NN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C15H19N3O2S/c1-10-3-6-15(7-4-10)13(19)18(14(20)17-15)16-9-12-11(2)5-8-21-12/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,20)
InChIKeyPNNKUKRNJCQJJA-UHFFFAOYSA-N
XLogP2.89
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2696765) is 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccsc1C=NN1C(=O)NC2(CCC(C)CC2)C1=O.
What is the InChIKey of 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is PNNKUKRNJCQJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-3-6-15(7-4-10)13(19)18(14(20)17-15)16-9-12-11(2)5-8-21-12/h5,8-10H,3-4,6-7H2,1-2H3,(H,17,20).
What are the key properties of 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 305.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2696765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).