2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol

C14H19NO2S — CID 10890785

IUPAC2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol
SMILESCCSc1[nH]c2ccccc2c1CC(CO)CO
InChIInChI=1S/C14H19NO2S/c1-2-18-14-12(7-10(8-16)9-17)11-5-3-4-6-13(11)15-14/h3-6,10,15-17H,2,7-9H2,1H3
InChIKeyBZIONRVIQORDQX-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.42
Rot. Bonds6

About 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol

2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol (PubChem CID 10890785) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol
PubChem CID10890785
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol
SMILESCCSc1[nH]c2ccccc2c1CC(CO)CO
InChIInChI=1S/C14H19NO2S/c1-2-18-14-12(7-10(8-16)9-17)11-5-3-4-6-13(11)15-14/h3-6,10,15-17H,2,7-9H2,1H3
InChIKeyBZIONRVIQORDQX-UHFFFAOYSA-N
XLogP2.42
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-ethylsulfanyl-1H-indole
CID 11414484
ethyl 2-(benzhydrylideneamino)-3-(2-ethylsulfanyl-1H-indol-3-yl)propanoate
CID 10837529
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-ethylsulfanyl-1H-indole
CID 11781709
dimethyl 2-[(2-propan-2-ylsulfanyl-1H-indol-3-yl)methyl]propanedioate
CID 11024142
(2S)-2-amino-3-(2-methylsulfanyl-1H-indol-3-yl)propanal
CID 155923710
9H-carbazole;propane-1,1-diol
CID 19846299
(2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
CID 157042536
bis(9H-carbazole);propane
CID 90987002
2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
CID 86024266
2,3-diethyl-1H-indole;hydrate
CID 70606554
2-(dimethoxymethyl)-3-ethyl-1H-indole
CID 134907125
2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole
CID 102323349

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol (CID 10890785) is 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol is CCSc1[nH]c2ccccc2c1CC(CO)CO.
What is the InChIKey of 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol?
The InChIKey is BZIONRVIQORDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-18-14-12(7-10(8-16)9-17)11-5-3-4-6-13(11)15-14/h3-6,10,15-17H,2,7-9H2,1H3.
What are the key properties of 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol?
2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol has a molecular weight of 265.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 10890785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).