1-methylsulfinylisoquinoline

C10H9NOS — CID 23423809

IUPAC1-methylsulfinylisoquinoline
SMILESCS(=O)c1nccc2ccccc12
InChIInChI=1S/C10H9NOS/c1-13(12)10-9-5-3-2-4-8(9)6-7-11-10/h2-7H,1H3
InChIKeyLLLMOXQEPWNDSP-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.97
Rot. Bonds1

About 1-methylsulfinylisoquinoline

1-methylsulfinylisoquinoline (PubChem CID 23423809) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-methylsulfinylisoquinoline.

Molecular Properties

Compound Name1-methylsulfinylisoquinoline
PubChem CID23423809
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name1-methylsulfinylisoquinoline
SMILESCS(=O)c1nccc2ccccc12
InChIInChI=1S/C10H9NOS/c1-13(12)10-9-5-3-2-4-8(9)6-7-11-10/h2-7H,1H3
InChIKeyLLLMOXQEPWNDSP-UHFFFAOYSA-N
XLogP1.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

formic acid;1-methylisoquinoline
CID 175196109
N,N-dimethylisoquinolin-1-amine
CID 10313317
N-hydroxy-N'-isoquinolin-1-ylethanimidamide
CID 154033700
1-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinoline
CID 12507585
hydron;isoquinoline-1-carbaldehyde
CID 174514236
ethane;isoquinolin-1-ylmethanamine
CID 145267324
ethane;isoquinolin-1-ylhydrazine
CID 142316933
1-(1,1-difluoroethyl)isoquinoline
CID 150195084
1,7-naphthyridine-8-sulfinic acid
CID 67245112
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
isoquinoline-1-sulfonyl chloride;hydrochloride
CID 19796336
1-[[2-(isoquinolin-1-ylmethyl)phenyl]methyl]isoquinoline
CID 23631798

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinylisoquinoline?
The IUPAC name of 1-methylsulfinylisoquinoline (CID 23423809) is 1-methylsulfinylisoquinoline.
What is the SMILES notation for 1-methylsulfinylisoquinoline?
The canonical SMILES for 1-methylsulfinylisoquinoline is CS(=O)c1nccc2ccccc12.
What is the InChIKey of 1-methylsulfinylisoquinoline?
The InChIKey is LLLMOXQEPWNDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-13(12)10-9-5-3-2-4-8(9)6-7-11-10/h2-7H,1H3.
What are the key properties of 1-methylsulfinylisoquinoline?
1-methylsulfinylisoquinoline has a molecular weight of 191.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylisoquinoline is sourced from PubChem (CID 23423809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).