1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

C13H18ClNO3S — CID 114777443

IUPAC1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)CN(CC(=O)c2ccc(Cl)s2)CC(CO)O1
InChIInChI=1S/C13H18ClNO3S/c1-13(2)8-15(5-9(7-16)18-13)6-10(17)11-3-4-12(14)19-11/h3-4,9,16H,5-8H2,1-2H3
InChIKeyRBWOTSQWZFUBGD-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.06
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (PubChem CID 114777443) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
PubChem CID114777443
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)CN(CC(=O)c2ccc(Cl)s2)CC(CO)O1
InChIInChI=1S/C13H18ClNO3S/c1-13(2)8-15(5-9(7-16)18-13)6-10(17)11-3-4-12(14)19-11/h3-4,9,16H,5-8H2,1-2H3
InChIKeyRBWOTSQWZFUBGD-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

1-(5-Chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one
CID 13019238
1-(5-Chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227091
1-(5-Chlorothiophen-2-yl)-2-morpholin-4-ylethanone
CID 43227691
1-(5-Chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one
CID 43794378
1-(5-Chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 43794456
1-(5-Chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 43794535
1-(5-Chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794569
1-(5-Chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)propan-1-one
CID 43796228
1-(5-Chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796258
1-(5-Chlorothiophen-2-yl)-2-(3-methylmorpholin-4-yl)propan-1-one
CID 43796402
1-(5-Chlorothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanone
CID 43796438
1-(5-Chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one
CID 43796492

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (CID 114777443) is 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is CC1(C)CN(CC(=O)c2ccc(Cl)s2)CC(CO)O1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The InChIKey is RBWOTSQWZFUBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-13(2)8-15(5-9(7-16)18-13)6-10(17)11-3-4-12(14)19-11/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone has a molecular weight of 303.81 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 114777443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).