methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate

C11H14ClNO3S — CID 18376662

IUPACmethyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(CN2CCOCC2)c1Cl
InChIInChI=1S/C11H14ClNO3S/c1-15-11(14)10-9(12)8(7-17-10)6-13-2-4-16-5-3-13/h7H,2-6H2,1H3
InChIKeyRZZIFRAOQDCUOE-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.02
Rot. Bonds3

About methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate

methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate (PubChem CID 18376662) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate
PubChem CID18376662
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Namemethyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(CN2CCOCC2)c1Cl
InChIInChI=1S/C11H14ClNO3S/c1-15-11(14)10-9(12)8(7-17-10)6-13-2-4-16-5-3-13/h7H,2-6H2,1H3
InChIKeyRZZIFRAOQDCUOE-UHFFFAOYSA-N
XLogP2.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-(piperidin-1-ylmethyl)thiophene-3-carboxylate
CID 12926497
2-Chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid
CID 18341106
3-chloro-4-(4-N-methylpiperazin-1-yl)methylthiophene-2-carboxylic acid
CID 18376624
Methyl 3-chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylate
CID 18376710
3-Chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid
CID 18376722
2-Methoxycarbonyl-3-chloro-4-((4-methylpiperazin-1-yl)methyl)thiophene
CID 18376752
3-Chloro-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxylic acid
CID 18376982
Sodium 3-chloro4-(morpholin-4-yl)methyl-2-thiophene carboxylate
CID 23701467
Methyl 3-chloro-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-2-carboxylate
CID 59700598
Methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate
CID 68805538
(4-Chloro-5-methoxycarbonylthiophen-3-yl)methyl-methylcarbamic acid
CID 69211108
2-carboxy-3-chloro-4-(4-methylpiperazin-1-yl)methylthiophene HCl salt
CID 69832497

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate (CID 18376662) is methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate is COC(=O)c1scc(CN2CCOCC2)c1Cl.
What is the InChIKey of methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
The InChIKey is RZZIFRAOQDCUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-15-11(14)10-9(12)8(7-17-10)6-13-2-4-16-5-3-13/h7H,2-6H2,1H3.
What are the key properties of methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate has a molecular weight of 275.76 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate is sourced from PubChem (CID 18376662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).