1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C9H15N3S — CID 79498822

IUPAC1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCSC2
InChIInChI=1S/C9H15N3S/c1-2-4-12-8(10)11-6-9(12)3-5-13-7-9/h2H,1,3-7H2,(H2,10,11)
InChIKeyMLCUQGRIOZTUPK-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.68
Rot. Bonds2

About 1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79498822) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79498822
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESC=CCN1C(N)=NCC12CCSC2
InChIInChI=1S/C9H15N3S/c1-2-4-12-8(10)11-6-9(12)3-5-13-7-9/h2H,1,3-7H2,(H2,10,11)
InChIKeyMLCUQGRIOZTUPK-UHFFFAOYSA-N
XLogP0.68
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.68
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-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79498822) is 1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is C=CCN1C(N)=NCC12CCSC2.
What is the InChIKey of 1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is MLCUQGRIOZTUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-4-12-8(10)11-6-9(12)3-5-13-7-9/h2H,1,3-7H2,(H2,10,11).
What are the key properties of 1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-prop-2-enyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 197.31 g/mol, XLogP of 0.68, 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-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79498822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).