1-thia-3-azaspiro[5.5]undec-2-en-2-amine

C9H16N2S — CID 90671451

IUPAC1-thia-3-azaspiro[5.5]undec-2-en-2-amine
SMILESNC1=NCCC2(CCCCC2)S1
InChIInChI=1S/C9H16N2S/c10-8-11-7-6-9(12-8)4-2-1-3-5-9/h1-7H2,(H2,10,11)
InChIKeyWWPONXCGGFKPLD-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.14
Rot. Bonds

About 1-thia-3-azaspiro[5.5]undec-2-en-2-amine

1-thia-3-azaspiro[5.5]undec-2-en-2-amine (PubChem CID 90671451) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-thia-3-azaspiro[5.5]undec-2-en-2-amine.

Molecular Properties

Compound Name1-thia-3-azaspiro[5.5]undec-2-en-2-amine
PubChem CID90671451
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-thia-3-azaspiro[5.5]undec-2-en-2-amine
SMILESNC1=NCCC2(CCCCC2)S1
InChIInChI=1S/C9H16N2S/c10-8-11-7-6-9(12-8)4-2-1-3-5-9/h1-7H2,(H2,10,11)
InChIKeyWWPONXCGGFKPLD-UHFFFAOYSA-N
XLogP2.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thia-3-azaspiro[5.5]undec-2-en-2-amine?
The IUPAC name of 1-thia-3-azaspiro[5.5]undec-2-en-2-amine (CID 90671451) is 1-thia-3-azaspiro[5.5]undec-2-en-2-amine.
What is the SMILES notation for 1-thia-3-azaspiro[5.5]undec-2-en-2-amine?
The canonical SMILES for 1-thia-3-azaspiro[5.5]undec-2-en-2-amine is NC1=NCCC2(CCCCC2)S1.
What is the InChIKey of 1-thia-3-azaspiro[5.5]undec-2-en-2-amine?
The InChIKey is WWPONXCGGFKPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c10-8-11-7-6-9(12-8)4-2-1-3-5-9/h1-7H2,(H2,10,11).
What are the key properties of 1-thia-3-azaspiro[5.5]undec-2-en-2-amine?
1-thia-3-azaspiro[5.5]undec-2-en-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-3-azaspiro[5.5]undec-2-en-2-amine is sourced from PubChem (CID 90671451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).