2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine

C15H23N3O2S — CID 103305842

IUPAC2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H23N3O2S/c16-13-5-4-10-17-14(13)21(19,20)18-11-8-15(9-12-18)6-2-1-3-7-15/h4-5,10H,1-3,6-9,11-12,16H2
InChIKeyWYIWEFOPGHIUPY-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.40
Rot. Bonds2

About 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine

2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine (PubChem CID 103305842) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine
PubChem CID103305842
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C15H23N3O2S/c16-13-5-4-10-17-14(13)21(19,20)18-11-8-15(9-12-18)6-2-1-3-7-15/h4-5,10H,1-3,6-9,11-12,16H2
InChIKeyWYIWEFOPGHIUPY-UHFFFAOYSA-N
XLogP2.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine (CID 103305842) is 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine is Nc1cccnc1S(=O)(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine?
The InChIKey is WYIWEFOPGHIUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c16-13-5-4-10-17-14(13)21(19,20)18-11-8-15(9-12-18)6-2-1-3-7-15/h4-5,10H,1-3,6-9,11-12,16H2.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine?
2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine has a molecular weight of 309.43 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-ylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 103305842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).