N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide

C14H20N2O2S — CID 105361396

IUPACN-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CNCC2)C1CCCC1
InChIInChI=1S/C14H20N2O2S/c17-19(18,14-3-1-2-4-14)16-13-6-5-11-7-8-15-10-12(11)9-13/h5-6,9,14-16H,1-4,7-8,10H2
InChIKeyZTZOFPLUPNYOOP-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.02
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide (PubChem CID 105361396) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
PubChem CID105361396
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CNCC2)C1CCCC1
InChIInChI=1S/C14H20N2O2S/c17-19(18,14-3-1-2-4-14)16-13-6-5-11-7-8-15-10-12(11)9-13/h5-6,9,14-16H,1-4,7-8,10H2
InChIKeyZTZOFPLUPNYOOP-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide (CID 105361396) is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide is O=S(=O)(Nc1ccc2c(c1)CNCC2)C1CCCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide?
The InChIKey is ZTZOFPLUPNYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-19(18,14-3-1-2-4-14)16-13-6-5-11-7-8-15-10-12(11)9-13/h5-6,9,14-16H,1-4,7-8,10H2.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide?
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide is sourced from PubChem (CID 105361396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).