1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one

C13H18ClNO2S — CID 43796492

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(Cl)s2)C(C)CO1
InChIInChI=1S/C13H18ClNO2S/c1-8-7-17-9(2)6-15(8)10(3)13(16)11-4-5-12(14)18-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyQNMNZWJVDUQEHQ-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.08
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 43796492) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one
PubChem CID43796492
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(Cl)s2)C(C)CO1
InChIInChI=1S/C13H18ClNO2S/c1-8-7-17-9(2)6-15(8)10(3)13(16)11-4-5-12(14)18-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyQNMNZWJVDUQEHQ-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81204637
2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one
CID 43796467
(5-chlorothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27233889
(5-chlorothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25237037
1-(5-chlorothiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 112626431
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 43798150
1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63170226
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544268
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
N-(4-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544196

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one (CID 43796492) is 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(C)C(=O)c2ccc(Cl)s2)C(C)CO1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is QNMNZWJVDUQEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-8-7-17-9(2)6-15(8)10(3)13(16)11-4-5-12(14)18-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 287.81 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 43796492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).