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

C10H15N3OS — CID 79960061

IUPAC4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1CC2(CS1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C10H15N3OS/c1-6-4-10(5-15-6)8(11)12-9(14)13(10)7-2-3-7/h6-7H,2-5H2,1H3,(H2,11,12,14)
InChIKeyODAFSLQOPZHDQY-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.21
Rot. Bonds1

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

4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79960061) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79960061
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1CC2(CS1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C10H15N3OS/c1-6-4-10(5-15-6)8(11)12-9(14)13(10)7-2-3-7/h6-7H,2-5H2,1H3,(H2,11,12,14)
InChIKeyODAFSLQOPZHDQY-UHFFFAOYSA-N
XLogP1.21
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79960061) is 4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one is CC1CC2(CS1)C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is ODAFSLQOPZHDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6-4-10(5-15-6)8(11)12-9(14)13(10)7-2-3-7/h6-7H,2-5H2,1H3,(H2,11,12,14).
What are the key properties of 4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 225.32 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79960061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).