1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine

C15H19N3O2S — CID 142995205

IUPAC1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)C2=c3ccncc3=CCC=C2)CC1
InChIInChI=1S/C15H19N3O2S/c16-13-6-9-18(10-7-13)21(19,20)15-4-2-1-3-12-11-17-8-5-14(12)15/h2-5,8,11,13H,1,6-7,9-10,16H2
InChIKeyFSYBMPXQUQAYHX-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.32
Rot. Bonds2

About 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine

1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine (PubChem CID 142995205) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine
PubChem CID142995205
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)C2=c3ccncc3=CCC=C2)CC1
InChIInChI=1S/C15H19N3O2S/c16-13-6-9-18(10-7-13)21(19,20)15-4-2-1-3-12-11-17-8-5-14(12)15/h2-5,8,11,13H,1,6-7,9-10,16H2
InChIKeyFSYBMPXQUQAYHX-UHFFFAOYSA-N
XLogP-0.32
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine (CID 142995205) is 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine is NC1CCN(S(=O)(=O)C2=c3ccncc3=CCC=C2)CC1.
What is the InChIKey of 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine?
The InChIKey is FSYBMPXQUQAYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-13-6-9-18(10-7-13)21(19,20)15-4-2-1-3-12-11-17-8-5-14(12)15/h2-5,8,11,13H,1,6-7,9-10,16H2.
What are the key properties of 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine?
1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine has a molecular weight of 305.40 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8H-cyclohepta[c]pyridin-5-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 142995205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).