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

C11H19N3OS — CID 79966937

IUPAC4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)N1C(=O)N=C(N)C12CCCSC2C
InChIInChI=1S/C11H19N3OS/c1-7(2)14-10(15)13-9(12)11(14)5-4-6-16-8(11)3/h7-8H,4-6H2,1-3H3,(H2,12,13,15)
InChIKeyPFOFCTAZJCREQC-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.84
Rot. Bonds1

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

4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79966937) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79966937
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)N1C(=O)N=C(N)C12CCCSC2C
InChIInChI=1S/C11H19N3OS/c1-7(2)14-10(15)13-9(12)11(14)5-4-6-16-8(11)3/h7-8H,4-6H2,1-3H3,(H2,12,13,15)
InChIKeyPFOFCTAZJCREQC-UHFFFAOYSA-N
XLogP1.84
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79966937) is 4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)N1C(=O)N=C(N)C12CCCSC2C.
What is the InChIKey of 4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is PFOFCTAZJCREQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)14-10(15)13-9(12)11(14)5-4-6-16-8(11)3/h7-8H,4-6H2,1-3H3,(H2,12,13,15).
What are the key properties of 4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 241.36 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79966937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).