[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone

C14H20ClNO2S — CID 114781198

IUPAC[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C14H20ClNO2S/c1-4-10-5-6-19-12(10)13(17)16-8-11(7-15)18-14(2,3)9-16/h5-6,11H,4,7-9H2,1-3H3
InChIKeyHGIDOGHDNBCJJH-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.17
Rot. Bonds3

About [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone (PubChem CID 114781198) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
PubChem CID114781198
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C14H20ClNO2S/c1-4-10-5-6-19-12(10)13(17)16-8-11(7-15)18-14(2,3)9-16/h5-6,11H,4,7-9H2,1-3H3
InChIKeyHGIDOGHDNBCJJH-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.17
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

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methoxythiophen-2-yl)methanone
CID 114779028
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3-dihydroxyphenyl)methanone
CID 114781203
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 114781299
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 114781295
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(4-chloro-3-methylphenyl)methanone
CID 114781262
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-4-thiophen-2-ylbutan-1-one
CID 114781333
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 81212290
(2-bromo-6-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781263

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone (CID 114781198) is [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)N1CC(CCl)OC(C)(C)C1.
What is the InChIKey of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone?
The InChIKey is HGIDOGHDNBCJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-4-10-5-6-19-12(10)13(17)16-8-11(7-15)18-14(2,3)9-16/h5-6,11H,4,7-9H2,1-3H3.
What are the key properties of [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone?
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone has a molecular weight of 301.84 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 114781198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).