4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one

C9H15N3OS — CID 79967354

IUPAC4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CSC(C)C2
InChIInChI=1S/C9H15N3OS/c1-3-12-8(13)11-7(10)9(12)4-6(2)14-5-9/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyBGUWTENGVNERLN-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.06
Rot. Bonds1

About 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79967354) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79967354
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CSC(C)C2
InChIInChI=1S/C9H15N3OS/c1-3-12-8(13)11-7(10)9(12)4-6(2)14-5-9/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyBGUWTENGVNERLN-UHFFFAOYSA-N
XLogP1.06
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1-cyclopropyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959664
4-Amino-1,7,7-trimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959711
4-Amino-8-methyl-1-propyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79959876
4-Amino-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79960039
4-Amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79960061
4-Amino-6,6-dimethyl-1-propyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960087
4-Amino-7,7-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960093
4-Amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960129
4-Amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960272
4-Amino-1-propyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960489
4-Amino-6,6-dimethyl-1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960511
4-Amino-1,8-dimethyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79960521

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79967354) is 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one is CCN1C(=O)N=C(N)C12CSC(C)C2.
What is the InChIKey of 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is BGUWTENGVNERLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-12-8(13)11-7(10)9(12)4-6(2)14-5-9/h6H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 213.31 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79967354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).