1-(1-methylindol-3-yl)-2-sulfanylethanol

C11H13NOS — CID 116830001

IUPAC1-(1-methylindol-3-yl)-2-sulfanylethanol
SMILESCn1cc(C(O)CS)c2ccccc21
InChIInChI=1S/C11H13NOS/c1-12-6-9(11(13)7-14)8-4-2-3-5-10(8)12/h2-6,11,13-14H,7H2,1H3
InChIKeyOKUDTVSALWQNKH-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.14
Rot. Bonds2

About 1-(1-methylindol-3-yl)-2-sulfanylethanol

1-(1-methylindol-3-yl)-2-sulfanylethanol (PubChem CID 116830001) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-2-sulfanylethanol.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-2-sulfanylethanol
PubChem CID116830001
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-(1-methylindol-3-yl)-2-sulfanylethanol
SMILESCn1cc(C(O)CS)c2ccccc21
InChIInChI=1S/C11H13NOS/c1-12-6-9(11(13)7-14)8-4-2-3-5-10(8)12/h2-6,11,13-14H,7H2,1H3
InChIKeyOKUDTVSALWQNKH-UHFFFAOYSA-N
XLogP2.14
TPSA25.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-2-sulfanylethanol?
The IUPAC name of 1-(1-methylindol-3-yl)-2-sulfanylethanol (CID 116830001) is 1-(1-methylindol-3-yl)-2-sulfanylethanol.
What is the SMILES notation for 1-(1-methylindol-3-yl)-2-sulfanylethanol?
The canonical SMILES for 1-(1-methylindol-3-yl)-2-sulfanylethanol is Cn1cc(C(O)CS)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)-2-sulfanylethanol?
The InChIKey is OKUDTVSALWQNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-12-6-9(11(13)7-14)8-4-2-3-5-10(8)12/h2-6,11,13-14H,7H2,1H3.
What are the key properties of 1-(1-methylindol-3-yl)-2-sulfanylethanol?
1-(1-methylindol-3-yl)-2-sulfanylethanol has a molecular weight of 207.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-2-sulfanylethanol is sourced from PubChem (CID 116830001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).