1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone

C14H16N2OS — CID 913332

IUPAC1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
SMILESO=C(CN1CCSCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2OS/c17-14(10-16-5-7-18-8-6-16)12-9-15-13-4-2-1-3-11(12)13/h1-4,9,15H,5-8,10H2
InChIKeyYGEXEQBBZOKURE-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.40
Rot. Bonds3

About 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone

1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone (PubChem CID 913332) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
PubChem CID913332
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
SMILESO=C(CN1CCSCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2OS/c17-14(10-16-5-7-18-8-6-16)12-9-15-13-4-2-1-3-11(12)13/h1-4,9,15H,5-8,10H2
InChIKeyYGEXEQBBZOKURE-UHFFFAOYSA-N
XLogP2.40
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1H-indole-3-carboxamide
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Indole, 3-(dimethylaminoacetyl)-
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2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
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Jwh-167
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CID 32750

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone (CID 913332) is 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone is O=C(CN1CCSCC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
The InChIKey is YGEXEQBBZOKURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14(10-16-5-7-18-8-6-16)12-9-15-13-4-2-1-3-11(12)13/h1-4,9,15H,5-8,10H2.
What are the key properties of 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone has a molecular weight of 260.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-thiomorpholin-4-ylethanone is sourced from PubChem (CID 913332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).