4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

C11H17N3OS — CID 79960272

IUPAC4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1SCCCC12C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C11H17N3OS/c1-7-11(5-2-6-16-7)9(12)13-10(15)14(11)8-3-4-8/h7-8H,2-6H2,1H3,(H2,12,13,15)
InChIKeyLCVHPHOMTYKZMQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.60
Rot. Bonds1

About 4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960272) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79960272
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1SCCCC12C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C11H17N3OS/c1-7-11(5-2-6-16-7)9(12)13-10(15)14(11)8-3-4-8/h7-8H,2-6H2,1H3,(H2,12,13,15)
InChIKeyLCVHPHOMTYKZMQ-UHFFFAOYSA-N
XLogP1.60
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.60
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-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79960272) is 4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CC1SCCCC12C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is LCVHPHOMTYKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-11(5-2-6-16-7)9(12)13-10(15)14(11)8-3-4-8/h7-8H,2-6H2,1H3,(H2,12,13,15).
What are the key properties of 4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-cyclopropyl-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.60, 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-10-methyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).