N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride

C10H15ClN2O2S — CID 22218092

IUPACN-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cccc2c1CCNC2.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-15(13,14)12-10-4-2-3-8-7-11-6-5-9(8)10;/h2-4,11-12H,5-7H2,1H3;1H
InChIKeyVIXRVBRUSDQWJD-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.13
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride (PubChem CID 22218092) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride
PubChem CID22218092
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cccc2c1CCNC2.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-15(13,14)12-10-4-2-3-8-7-11-6-5-9(8)10;/h2-4,11-12H,5-7H2,1H3;1H
InChIKeyVIXRVBRUSDQWJD-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.13
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-5-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride (CID 22218092) is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1cccc2c1CCNC2.Cl.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride?
The InChIKey is VIXRVBRUSDQWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S.ClH/c1-15(13,14)12-10-4-2-3-8-7-11-6-5-9(8)10;/h2-4,11-12H,5-7H2,1H3;1H.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride?
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide;hydrochloride has a molecular weight of 262.76 g/mol, XLogP of 1.13, 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-5-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 22218092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).