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

C10H12ClNO3S — CID 18376722

IUPAC3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1scc(CN2CCOCC2)c1Cl
InChIInChI=1S/C10H12ClNO3S/c11-8-7(6-16-9(8)10(13)14)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14)
InChIKeyVXLRXOUXVXKBBH-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.93
Rot. Bonds3

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

3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid (PubChem CID 18376722) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid
PubChem CID18376722
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1scc(CN2CCOCC2)c1Cl
InChIInChI=1S/C10H12ClNO3S/c11-8-7(6-16-9(8)10(13)14)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14)
InChIKeyVXLRXOUXVXKBBH-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 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid (CID 18376722) is 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid is O=C(O)c1scc(CN2CCOCC2)c1Cl.
What is the InChIKey of 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid?
The InChIKey is VXLRXOUXVXKBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c11-8-7(6-16-9(8)10(13)14)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14).
What are the key properties of 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid?
3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-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 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 18376722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).