2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol

C15H20N2O3S — CID 23584716

IUPAC2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol
SMILESO=S(=O)(CN1CCCC1)c1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C15H20N2O3S/c18-8-5-12-10-16-15-4-3-13(9-14(12)15)21(19,20)11-17-6-1-2-7-17/h3-4,9-10,16,18H,1-2,5-8,11H2
InChIKeyKPBZUHMNICLYFM-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.53
Rot. Bonds5

About 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol

2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol (PubChem CID 23584716) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol
PubChem CID23584716
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol
SMILESO=S(=O)(CN1CCCC1)c1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C15H20N2O3S/c18-8-5-12-10-16-15-4-3-13(9-14(12)15)21(19,20)11-17-6-1-2-7-17/h3-4,9-10,16,18H,1-2,5-8,11H2
InChIKeyKPBZUHMNICLYFM-UHFFFAOYSA-N
XLogP1.53
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
[5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol
CID 174688128
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
CID 83984871
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate
CID 169222165
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 156806832

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol (CID 23584716) is 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol is O=S(=O)(CN1CCCC1)c1ccc2[nH]cc(CCO)c2c1.
What is the InChIKey of 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol?
The InChIKey is KPBZUHMNICLYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-8-5-12-10-16-15-4-3-13(9-14(12)15)21(19,20)11-17-6-1-2-7-17/h3-4,9-10,16,18H,1-2,5-8,11H2.
What are the key properties of 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol?
2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol has a molecular weight of 308.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol is sourced from PubChem (CID 23584716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).