1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine

C11H14N2O2S — CID 83984878

IUPAC1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine
SMILESCC(N)c1c[nH]c2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C11H14N2O2S/c1-7(12)10-6-13-11-4-3-8(5-9(10)11)16(2,14)15/h3-7,13H,12H2,1-2H3
InChIKeyYTHZOKRLLYJMST-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.59
Rot. Bonds2

About 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine

1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine (PubChem CID 83984878) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine
PubChem CID83984878
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine
SMILESCC(N)c1c[nH]c2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C11H14N2O2S/c1-7(12)10-6-13-11-4-3-8(5-9(10)11)16(2,14)15/h3-7,13H,12H2,1-2H3
InChIKeyYTHZOKRLLYJMST-UHFFFAOYSA-N
XLogP1.59
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
1-(2-methyl-4-methylsulfonylphenyl)ethanamine
CID 117304474
3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
CID 83984871
1,1,1-trifluoro-2-(5-methylsulfonyl-1H-indol-3-yl)propan-2-ol
CID 83984896
(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82759015
(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
CID 82758109
ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
1-(5-ethylsulfonyl-1H-indol-3-yl)-3-methylbutan-2-amine
CID 83984848

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine (CID 83984878) is 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine is CC(N)c1c[nH]c2ccc(S(C)(=O)=O)cc12.
What is the InChIKey of 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine?
The InChIKey is YTHZOKRLLYJMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7(12)10-6-13-11-4-3-8(5-9(10)11)16(2,14)15/h3-7,13H,12H2,1-2H3.
What are the key properties of 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine?
1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 83984878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).