N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C15H24N4S — CID 103967745

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(Cn1ccnc1)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H24N4S/c1-13(9-19-8-7-16-12-19)18-14-17-10-15(11-20-14)5-3-2-4-6-15/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyLOBVHLLWXCBYJM-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.91
Rot. Bonds3

About N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967745) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967745
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(Cn1ccnc1)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H24N4S/c1-13(9-19-8-7-16-12-19)18-14-17-10-15(11-20-14)5-3-2-4-6-15/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyLOBVHLLWXCBYJM-UHFFFAOYSA-N
XLogP2.91
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967745) is N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC(Cn1ccnc1)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is LOBVHLLWXCBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-13(9-19-8-7-16-12-19)18-14-17-10-15(11-20-14)5-3-2-4-6-15/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,18).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 292.45 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).