N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride

C10H15ClN2O2S — CID 110209411

IUPACN-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc2c1CCNC2.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10;/h2-4,11-12H,5-7H2,1H3;1H
InChIKeyPEEQBEKDVOZQIM-UHFFFAOYSA-N
MW262.76 g/mol
LogP0.66
Rot. Bonds2

About N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride

N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride (PubChem CID 110209411) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
PubChem CID110209411
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc2c1CCNC2.Cl
InChIInChI=1S/C10H14N2O2S.ClH/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10;/h2-4,11-12H,5-7H2,1H3;1H
InChIKeyPEEQBEKDVOZQIM-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride (CID 110209411) is N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride is CNS(=O)(=O)c1cccc2c1CCNC2.Cl.
What is the InChIKey of N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride?
The InChIKey is PEEQBEKDVOZQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S.ClH/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10;/h2-4,11-12H,5-7H2,1H3;1H.
What are the key properties of N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride?
N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride has a molecular weight of 262.76 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 110209411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).