2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid

C10H12ClNO3S — CID 18341106

IUPAC2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCOCC2)sc1Cl
InChIInChI=1S/C10H12ClNO3S/c11-9-8(10(13)14)5-7(16-9)6-12-1-3-15-4-2-12/h5H,1-4,6H2,(H,13,14)
InChIKeyGWQQOMIOFCSCTI-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.93
Rot. Bonds3

About 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid

2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid (PubChem CID 18341106) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid
PubChem CID18341106
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCOCC2)sc1Cl
InChIInChI=1S/C10H12ClNO3S/c11-9-8(10(13)14)5-7(16-9)6-12-1-3-15-4-2-12/h5H,1-4,6H2,(H,13,14)
InChIKeyGWQQOMIOFCSCTI-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid (CID 18341106) is 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid is O=C(O)c1cc(CN2CCOCC2)sc1Cl.
What is the InChIKey of 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid?
The InChIKey is GWQQOMIOFCSCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c11-9-8(10(13)14)5-7(16-9)6-12-1-3-15-4-2-12/h5H,1-4,6H2,(H,13,14).
What are the key properties of 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid?
2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid has a molecular weight of 261.73 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(morpholin-4-ylmethyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 18341106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).