1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C10H17N3S — CID 79498554

IUPAC1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCSCC2
InChIInChI=1S/C10H17N3S/c1-2-5-13-9(11)12-8-10(13)3-6-14-7-4-10/h2H,1,3-8H2,(H2,11,12)
InChIKeyTUSHGNGEAMOYED-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.07
Rot. Bonds2

About 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498554) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498554
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCSCC2
InChIInChI=1S/C10H17N3S/c1-2-5-13-9(11)12-8-10(13)3-6-14-7-4-10/h2H,1,3-8H2,(H2,11,12)
InChIKeyTUSHGNGEAMOYED-UHFFFAOYSA-N
XLogP1.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498554) is 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is C=CCN1C(N)=NCC12CCSCC2.
What is the InChIKey of 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is TUSHGNGEAMOYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-5-13-9(11)12-8-10(13)3-6-14-7-4-10/h2H,1,3-8H2,(H2,11,12).
What are the key properties of 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).