1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone

C12H16ClNO2S — CID 102937552

IUPAC1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCC1CN(C(=O)Cc2cccs2)CC(CCl)O1
InChIInChI=1S/C12H16ClNO2S/c1-9-7-14(8-10(6-13)16-9)12(15)5-11-3-2-4-17-11/h2-4,9-10H,5-8H2,1H3
InChIKeyZXUIGZZJWLJPMZ-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.15
Rot. Bonds3

About 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone

1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 102937552) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID102937552
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCC1CN(C(=O)Cc2cccs2)CC(CCl)O1
InChIInChI=1S/C12H16ClNO2S/c1-9-7-14(8-10(6-13)16-9)12(15)5-11-3-2-4-17-11/h2-4,9-10H,5-8H2,1H3
InChIKeyZXUIGZZJWLJPMZ-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102934064
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 102937338
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 102934265
1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937282
1-[(2S,3aS,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97388836
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120660237
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 102937304
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931485

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone (CID 102937552) is 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone is CC1CN(C(=O)Cc2cccs2)CC(CCl)O1.
What is the InChIKey of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is ZXUIGZZJWLJPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-9-7-14(8-10(6-13)16-9)12(15)5-11-3-2-4-17-11/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone?
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 273.78 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 102937552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).