methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate

C10H11Cl2NO5S2 — CID 115672109

IUPACmethyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO5S2/c1-17-10(14)6-5-18-3-2-13(6)20(15,16)7-4-8(11)19-9(7)12/h4,6H,2-3,5H2,1H3
InChIKeyBVLDGEWUUCQYAZ-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.62
Rot. Bonds3

About methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate

methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate (PubChem CID 115672109) has the molecular formula C10H11Cl2NO5S2 and a molecular weight of 360.24 g/mol. Its IUPAC name is methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate
PubChem CID115672109
Molecular FormulaC10H11Cl2NO5S2
Molecular Weight360.24 g/mol
Exact Mass358.95
IUPAC Namemethyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO5S2/c1-17-10(14)6-5-18-3-2-13(6)20(15,16)7-4-8(11)19-9(7)12/h4,6H,2-3,5H2,1H3
InChIKeyBVLDGEWUUCQYAZ-UHFFFAOYSA-N
XLogP1.62
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(5-bromo-2-methylphenyl)sulfonylmorpholine-3-carboxylate
CID 115672139
methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate
CID 115672123
N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide
CID 136530582
methyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 103100590
methyl 4-(azepan-1-ylsulfonyl)morpholine-3-carboxylate
CID 115672152
[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55508764
methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate
CID 114811644
1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63854549
1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
CID 3758298
methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate
CID 115672140
methyl 4-(5-chloro-2-methyl-4-nitrophenyl)morpholine-3-carboxylate
CID 104775195
[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 66261155

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate?
The IUPAC name of methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate (CID 115672109) is methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate is COC(=O)C1COCCN1S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate?
The InChIKey is BVLDGEWUUCQYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO5S2/c1-17-10(14)6-5-18-3-2-13(6)20(15,16)7-4-8(11)19-9(7)12/h4,6H,2-3,5H2,1H3.
What are the key properties of methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate?
methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate has a molecular weight of 360.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate is sourced from PubChem (CID 115672109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).