7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C15H24N4S — CID 62902870

IUPAC7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(Nc3cnn(C(C)C)c3)=N2)C1
InChIInChI=1S/C15H24N4S/c1-11(2)19-9-13(8-16-19)17-14-18-15(10-20-14)6-4-5-12(3)7-15/h8-9,11-12H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyODVDXRIKZQFKIO-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.93
Rot. Bonds2

About 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 62902870) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound Name7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID62902870
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(Nc3cnn(C(C)C)c3)=N2)C1
InChIInChI=1S/C15H24N4S/c1-11(2)19-9-13(8-16-19)17-14-18-15(10-20-14)6-4-5-12(3)7-15/h8-9,11-12H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyODVDXRIKZQFKIO-UHFFFAOYSA-N
XLogP3.93
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 62902870) is 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CC1CCCC2(CSC(Nc3cnn(C(C)C)c3)=N2)C1.
What is the InChIKey of 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is ODVDXRIKZQFKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-11(2)19-9-13(8-16-19)17-14-18-15(10-20-14)6-4-5-12(3)7-15/h8-9,11-12H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 62902870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).