7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C14H25N3S — CID 83018896

IUPAC7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(NN3CCCCC3)=N2)C1
InChIInChI=1S/C14H25N3S/c1-12-6-5-7-14(10-12)11-18-13(15-14)16-17-8-3-2-4-9-17/h12H,2-11H2,1H3,(H,15,16)
InChIKeyWQAJQTVSHSZSNF-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.03
Rot. Bonds1

About 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 83018896) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound Name7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID83018896
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(NN3CCCCC3)=N2)C1
InChIInChI=1S/C14H25N3S/c1-12-6-5-7-14(10-12)11-18-13(15-14)16-17-8-3-2-4-9-17/h12H,2-11H2,1H3,(H,15,16)
InChIKeyWQAJQTVSHSZSNF-UHFFFAOYSA-N
XLogP3.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 83018896) is 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CC1CCCC2(CSC(NN3CCCCC3)=N2)C1.
What is the InChIKey of 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is WQAJQTVSHSZSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12-6-5-7-14(10-12)11-18-13(15-14)16-17-8-3-2-4-9-17/h12H,2-11H2,1H3,(H,15,16).
What are the key properties of 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 83018896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).