1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone

C16H20N2OS — CID 915006

IUPAC1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone
SMILESCc1c(C(=O)CN2CCSCC2)c2ccccc2n1C
InChIInChI=1S/C16H20N2OS/c1-12-16(13-5-3-4-6-14(13)17(12)2)15(19)11-18-7-9-20-10-8-18/h3-6H,7-11H2,1-2H3
InChIKeyLJUFUCQLXJQASB-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.72
Rot. Bonds3

About 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone

1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone (PubChem CID 915006) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone
PubChem CID915006
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone
SMILESCc1c(C(=O)CN2CCSCC2)c2ccccc2n1C
InChIInChI=1S/C16H20N2OS/c1-12-16(13-5-3-4-6-14(13)17(12)2)15(19)11-18-7-9-20-10-8-18/h3-6H,7-11H2,1-2H3
InChIKeyLJUFUCQLXJQASB-UHFFFAOYSA-N
XLogP2.72
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jwh 015
CID 4273754
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
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Jwh-007
CID 10360860
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
CID 74468
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
[1-[(1-Methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537652
Olinone
CID 91668531
Jwh-167
CID 44397502
Jwh-205
CID 44397436
2-(4-Methylphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397464
Jwh-209
CID 44397465
2-(2-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397516

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone (CID 915006) is 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone is Cc1c(C(=O)CN2CCSCC2)c2ccccc2n1C.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone?
The InChIKey is LJUFUCQLXJQASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-16(13-5-3-4-6-14(13)17(12)2)15(19)11-18-7-9-20-10-8-18/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone?
1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone has a molecular weight of 288.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-2-thiomorpholin-4-ylethanone is sourced from PubChem (CID 915006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).