3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine

C15H17N3O2S — CID 118488054

IUPAC3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESNC12CCC1CN(S(=O)(=O)c1cccc3cnccc13)C2
InChIInChI=1S/C15H17N3O2S/c16-15-6-4-12(15)9-18(10-15)21(19,20)14-3-1-2-11-8-17-7-5-13(11)14/h1-3,5,7-8,12H,4,6,9-10,16H2
InChIKeyVWTXTRJDPKVANF-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.35
Rot. Bonds2

About 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine

3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine (PubChem CID 118488054) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine.

Molecular Properties

Compound Name3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine
PubChem CID118488054
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESNC12CCC1CN(S(=O)(=O)c1cccc3cnccc13)C2
InChIInChI=1S/C15H17N3O2S/c16-15-6-4-12(15)9-18(10-15)21(19,20)14-3-1-2-11-8-17-7-5-13(11)14/h1-3,5,7-8,12H,4,6,9-10,16H2
InChIKeyVWTXTRJDPKVANF-UHFFFAOYSA-N
XLogP1.35
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-isoquinolin-5-ylsulfonylpiperazine-1-carboximidamide
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1-isoquinolin-5-ylsulfonyl-N-methoxy-N-methylpiperidin-4-amine
CID 154782948
1-isoquinolin-5-ylsulfonyl-N-propylpiperidin-3-amine
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5-(3-propylpiperidin-1-yl)sulfonylisoquinoline
CID 126780577
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CID 57333975

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine?
The IUPAC name of 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine (CID 118488054) is 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine.
What is the SMILES notation for 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine?
The canonical SMILES for 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine is NC12CCC1CN(S(=O)(=O)c1cccc3cnccc13)C2.
What is the InChIKey of 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine?
The InChIKey is VWTXTRJDPKVANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c16-15-6-4-12(15)9-18(10-15)21(19,20)14-3-1-2-11-8-17-7-5-13(11)14/h1-3,5,7-8,12H,4,6,9-10,16H2.
What are the key properties of 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine?
3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine has a molecular weight of 303.39 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-ylsulfonyl-3-azabicyclo[3.2.0]heptan-1-amine is sourced from PubChem (CID 118488054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).