1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol

C15H20N2O2S — CID 3254372

IUPAC1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
SMILESCOc1ccc2[nH]cc(C(O)CN3CCSCC3)c2c1
InChIInChI=1S/C15H20N2O2S/c1-19-11-2-3-14-12(8-11)13(9-16-14)15(18)10-17-4-6-20-7-5-17/h2-3,8-9,15-16,18H,4-7,10H2,1H3
InChIKeyKXRSCBJJIHADOF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.26
Rot. Bonds4

About 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol

1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol (PubChem CID 3254372) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
PubChem CID3254372
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
SMILESCOc1ccc2[nH]cc(C(O)CN3CCSCC3)c2c1
InChIInChI=1S/C15H20N2O2S/c1-19-11-2-3-14-12(8-11)13(9-16-14)15(18)10-17-4-6-20-7-5-17/h2-3,8-9,15-16,18H,4-7,10H2,1H3
InChIKeyKXRSCBJJIHADOF-UHFFFAOYSA-N
XLogP2.26
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol
CID 7481670
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 2003978
(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol
CID 51872207
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
(1S)-11-[2-hydroxy-2-(5-methoxy-1H-indol-3-yl)ethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171156974
2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine
CID 83976595
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol
CID 95172600
(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanol
CID 2025636
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol (CID 3254372) is 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol is COc1ccc2[nH]cc(C(O)CN3CCSCC3)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol?
The InChIKey is KXRSCBJJIHADOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-19-11-2-3-14-12(8-11)13(9-16-14)15(18)10-17-4-6-20-7-5-17/h2-3,8-9,15-16,18H,4-7,10H2,1H3.
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol?
1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol has a molecular weight of 292.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol is sourced from PubChem (CID 3254372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).