1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone

C15H18N2O2S — CID 944731

IUPAC1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
SMILESCOc1ccc2c(C(=O)CN3CCSCC3)c[nH]c2c1
InChIInChI=1S/C15H18N2O2S/c1-19-11-2-3-12-13(9-16-14(12)8-11)15(18)10-17-4-6-20-7-5-17/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeyNFPWGQOETJPFSL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.41
Rot. Bonds4

About 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone

1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone (PubChem CID 944731) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
PubChem CID944731
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
SMILESCOc1ccc2c(C(=O)CN3CCSCC3)c[nH]c2c1
InChIInChI=1S/C15H18N2O2S/c1-19-11-2-3-12-13(9-16-14(12)8-11)15(18)10-17-4-6-20-7-5-17/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeyNFPWGQOETJPFSL-UHFFFAOYSA-N
XLogP2.41
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
The IUPAC name of 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone (CID 944731) is 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone.
What is the SMILES notation for 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
The canonical SMILES for 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone is COc1ccc2c(C(=O)CN3CCSCC3)c[nH]c2c1.
What is the InChIKey of 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
The InChIKey is NFPWGQOETJPFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-11-2-3-12-13(9-16-14(12)8-11)15(18)10-17-4-6-20-7-5-17/h2-3,8-9,16H,4-7,10H2,1H3.
What are the key properties of 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone?
1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone has a molecular weight of 290.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone is sourced from PubChem (CID 944731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).