N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

C10H14N2O2S — CID 22018495

IUPACN-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H14N2O2S/c1-11-15(13,14)10-3-2-8-4-5-12-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3
InChIKeyMRSVQJXDOIUUPY-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.24
Rot. Bonds2

About N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (PubChem CID 22018495) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
PubChem CID22018495
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H14N2O2S/c1-11-15(13,14)10-3-2-8-4-5-12-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3
InChIKeyMRSVQJXDOIUUPY-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
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-7-sulfonamide?
The IUPAC name of N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (CID 22018495) is N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
What is the SMILES notation for N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The canonical SMILES for N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The InChIKey is MRSVQJXDOIUUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-11-15(13,14)10-3-2-8-4-5-12-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3.
What are the key properties of N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.24, 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-7-sulfonamide is sourced from PubChem (CID 22018495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).