[(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol

C10H13NOS — CID 131172463

IUPAC[(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESCSc1ccc2c(c1)[C@@H](CO)NC2
InChIInChI=1S/C10H13NOS/c1-13-8-3-2-7-5-11-10(6-12)9(7)4-8/h2-4,10-12H,5-6H2,1H3/t10-/m1/s1
InChIKeyHIGDIWVWXCGROF-SNVBAGLBSA-N
MW195.29 g/mol
LogP1.55
Rot. Bonds2

About [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol

[(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol (PubChem CID 131172463) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol
PubChem CID131172463
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name[(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESCSc1ccc2c(c1)[C@@H](CO)NC2
InChIInChI=1S/C10H13NOS/c1-13-8-3-2-7-5-11-10(6-12)9(7)4-8/h2-4,10-12H,5-6H2,1H3/t10-/m1/s1
InChIKeyHIGDIWVWXCGROF-SNVBAGLBSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
The IUPAC name of [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol (CID 131172463) is [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol.
What is the SMILES notation for [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
The canonical SMILES for [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol is CSc1ccc2c(c1)[C@@H](CO)NC2.
What is the InChIKey of [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
The InChIKey is HIGDIWVWXCGROF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NOS/c1-13-8-3-2-7-5-11-10(6-12)9(7)4-8/h2-4,10-12H,5-6H2,1H3/t10-/m1/s1.
What are the key properties of [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
[(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol has a molecular weight of 195.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol is sourced from PubChem (CID 131172463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).