7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C10H14N2O2S — CID 162521919

IUPAC7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCc1ccc2c(c1)CN(S(N)(=O)=O)CC2
InChIInChI=1S/C10H14N2O2S/c1-8-2-3-9-4-5-12(15(11,13)14)7-10(9)6-8/h2-3,6H,4-5,7H2,1H3,(H2,11,13,14)
InChIKeySMVBBFPJGXJNPL-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.56
Rot. Bonds1

About 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 162521919) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID162521919
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCc1ccc2c(c1)CN(S(N)(=O)=O)CC2
InChIInChI=1S/C10H14N2O2S/c1-8-2-3-9-4-5-12(15(11,13)14)7-10(9)6-8/h2-3,6H,4-5,7H2,1H3,(H2,11,13,14)
InChIKeySMVBBFPJGXJNPL-UHFFFAOYSA-N
XLogP0.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294128
2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294148
2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294152
6-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 155202858
2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 28707249
2-N,2-N-dimethyl-3,4-dihydro-1H-isoquinoline-2,7-disulfonamide
CID 110294126
2-N-methyl-3,4-dihydro-1H-isoquinoline-2,7-disulfonamide
CID 110632546
ethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168897909
1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamine
CID 82175784
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113
methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 20871848

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 162521919) is 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is Cc1ccc2c(c1)CN(S(N)(=O)=O)CC2.
What is the InChIKey of 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is SMVBBFPJGXJNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8-2-3-9-4-5-12(15(11,13)14)7-10(9)6-8/h2-3,6H,4-5,7H2,1H3,(H2,11,13,14).
What are the key properties of 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 226.30 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 162521919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).