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

C10H14N2O2S — CID 10751730

IUPACN-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3
InChIKeyZDFDNWSKWRKAEF-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.70
Rot. Bonds2

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

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide (PubChem CID 10751730) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide
PubChem CID10751730
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3
InChIKeyZDFDNWSKWRKAEF-UHFFFAOYSA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.70
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)methanesulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide (CID 10751730) is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide?
The InChIKey is ZDFDNWSKWRKAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-15(13,14)12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide?
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.70, 2 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)methanesulfonamide is sourced from PubChem (CID 10751730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).