1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one

C13H18ClNO3S — CID 81204637

IUPAC1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCC1COC(CO)CN1C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO3S/c1-8-7-18-10(6-16)5-15(8)9(2)13(17)11-3-4-12(14)19-11/h3-4,8-10,16H,5-7H2,1-2H3
InChIKeyNJGMRWIOLCCNDX-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.05
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one (PubChem CID 81204637) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
PubChem CID81204637
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCC1COC(CO)CN1C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNO3S/c1-8-7-18-10(6-16)5-15(8)9(2)13(17)11-3-4-12(14)19-11/h3-4,8-10,16H,5-7H2,1-2H3
InChIKeyNJGMRWIOLCCNDX-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one
CID 43796492
1-(5-chlorothiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 112626431
[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219101
N-(4-aminophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81195909
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81219393
2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one
CID 43796467
1-(5-chlorothiophen-2-yl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777443
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
[4-[2-amino-1-(4-bromothiophen-2-yl)propyl]-5-methylmorpholin-2-yl]methanol
CID 81202815
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
(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol
CID 81219426

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one (CID 81204637) is 1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one is CC1COC(CO)CN1C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The InChIKey is NJGMRWIOLCCNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-8-7-18-10(6-16)5-15(8)9(2)13(17)11-3-4-12(14)19-11/h3-4,8-10,16H,5-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one has a molecular weight of 303.81 g/mol, XLogP of 2.05, 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-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 81204637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).