[1-(2-methylsulfanylethyl)indol-7-yl]methanol

C12H15NOS — CID 102912009

IUPAC[1-(2-methylsulfanylethyl)indol-7-yl]methanol
SMILESCSCCn1ccc2cccc(CO)c21
InChIInChI=1S/C12H15NOS/c1-15-8-7-13-6-5-10-3-2-4-11(9-14)12(10)13/h2-6,14H,7-9H2,1H3
InChIKeyMHGYZVGJDYLQDG-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.50
Rot. Bonds4

About [1-(2-methylsulfanylethyl)indol-7-yl]methanol

[1-(2-methylsulfanylethyl)indol-7-yl]methanol (PubChem CID 102912009) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is [1-(2-methylsulfanylethyl)indol-7-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylsulfanylethyl)indol-7-yl]methanol
PubChem CID102912009
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name[1-(2-methylsulfanylethyl)indol-7-yl]methanol
SMILESCSCCn1ccc2cccc(CO)c21
InChIInChI=1S/C12H15NOS/c1-15-8-7-13-6-5-10-3-2-4-11(9-14)12(10)13/h2-6,14H,7-9H2,1H3
InChIKeyMHGYZVGJDYLQDG-UHFFFAOYSA-N
XLogP2.50
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(hydroxymethyl)indol-1-yl]ethanol
CID 102912014
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
(1-pent-4-enylindol-7-yl)methanol
CID 102912127
(1-hept-6-enylindol-7-yl)methanol
CID 107008139
[1-(3-phenylpropyl)indol-7-yl]methanol
CID 102911939
(1-prop-2-ynylindol-7-yl)methanol
CID 102912084
[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
CID 102911952
[1-(2-methoxypropyl)indol-7-yl]methanol
CID 102912071
methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
CID 102913749
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol
CID 102912135

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfanylethyl)indol-7-yl]methanol?
The IUPAC name of [1-(2-methylsulfanylethyl)indol-7-yl]methanol (CID 102912009) is [1-(2-methylsulfanylethyl)indol-7-yl]methanol.
What is the SMILES notation for [1-(2-methylsulfanylethyl)indol-7-yl]methanol?
The canonical SMILES for [1-(2-methylsulfanylethyl)indol-7-yl]methanol is CSCCn1ccc2cccc(CO)c21.
What is the InChIKey of [1-(2-methylsulfanylethyl)indol-7-yl]methanol?
The InChIKey is MHGYZVGJDYLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-15-8-7-13-6-5-10-3-2-4-11(9-14)12(10)13/h2-6,14H,7-9H2,1H3.
What are the key properties of [1-(2-methylsulfanylethyl)indol-7-yl]methanol?
[1-(2-methylsulfanylethyl)indol-7-yl]methanol has a molecular weight of 221.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfanylethyl)indol-7-yl]methanol is sourced from PubChem (CID 102912009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).