N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

C14H21N3O2S — CID 83016408

IUPACN-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESO=S(=O)(NN1CCCCC1)c1cccc2c1CCNC2
InChIInChI=1S/C14H21N3O2S/c18-20(19,16-17-9-2-1-3-10-17)14-6-4-5-12-11-15-8-7-13(12)14/h4-6,15-16H,1-3,7-11H2
InChIKeyUJUDSUHRQYQAON-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.01
Rot. Bonds3

About N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (PubChem CID 83016408) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
PubChem CID83016408
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESO=S(=O)(NN1CCCCC1)c1cccc2c1CCNC2
InChIInChI=1S/C14H21N3O2S/c18-20(19,16-17-9-2-1-3-10-17)14-6-4-5-12-11-15-8-7-13(12)14/h4-6,15-16H,1-3,7-11H2
InChIKeyUJUDSUHRQYQAON-UHFFFAOYSA-N
XLogP1.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The IUPAC name of N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (CID 83016408) is N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.
What is the SMILES notation for N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The canonical SMILES for N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is O=S(=O)(NN1CCCCC1)c1cccc2c1CCNC2.
What is the InChIKey of N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The InChIKey is UJUDSUHRQYQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-20(19,16-17-9-2-1-3-10-17)14-6-4-5-12-11-15-8-7-13(12)14/h4-6,15-16H,1-3,7-11H2.
What are the key properties of N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is sourced from PubChem (CID 83016408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).