1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C11H21N3O2S — CID 79497514

IUPAC1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCS(=O)(=O)CC2
InChIInChI=1S/C11H21N3O2S/c1-9(2)7-14-10(12)13-8-11(14)3-5-17(15,16)6-4-11/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyPHEXCPIEJAZPLX-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.22
Rot. Bonds2

About 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497514) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497514
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCS(=O)(=O)CC2
InChIInChI=1S/C11H21N3O2S/c1-9(2)7-14-10(12)13-8-11(14)3-5-17(15,16)6-4-11/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyPHEXCPIEJAZPLX-UHFFFAOYSA-N
XLogP0.22
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497514) is 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCS(=O)(=O)CC2.
What is the InChIKey of 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is PHEXCPIEJAZPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-9(2)7-14-10(12)13-8-11(14)3-5-17(15,16)6-4-11/h9H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 259.37 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).