2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone

C15H19N3OS — CID 116609723

IUPAC2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
SMILESCCn1nc(CC(=O)C2CSCCN2)c2ccccc21
InChIInChI=1S/C15H19N3OS/c1-2-18-14-6-4-3-5-11(14)12(17-18)9-15(19)13-10-20-8-7-16-13/h3-6,13,16H,2,7-10H2,1H3
InChIKeyADUDEEHDBDUKFZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.87
Rot. Bonds4

About 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone

2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone (PubChem CID 116609723) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
PubChem CID116609723
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
SMILESCCn1nc(CC(=O)C2CSCCN2)c2ccccc21
InChIInChI=1S/C15H19N3OS/c1-2-18-14-6-4-3-5-11(14)12(17-18)9-15(19)13-10-20-8-7-16-13/h3-6,13,16H,2,7-10H2,1H3
InChIKeyADUDEEHDBDUKFZ-UHFFFAOYSA-N
XLogP1.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
CID 116560043
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
CID 116609599
1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole
CID 104881355
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
1-(1-ethylindazol-3-yl)-4-methylhexan-2-one
CID 114981110
2-(1-ethylindazol-3-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829628
1-(cyclopentylamino)-3-(1-ethylindazol-3-yl)propan-2-one
CID 116559188
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138
3-[(4-bromothiolan-3-yl)methyl]-1-ethylindazole
CID 83191263
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95729625
1-(1,3-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanone
CID 102802810

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone (CID 116609723) is 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone is CCn1nc(CC(=O)C2CSCCN2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone?
The InChIKey is ADUDEEHDBDUKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-18-14-6-4-3-5-11(14)12(17-18)9-15(19)13-10-20-8-7-16-13/h3-6,13,16H,2,7-10H2,1H3.
What are the key properties of 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone?
2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone has a molecular weight of 289.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116609723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).