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

C10H11ClNNaO3S — CID 23701467

IUPACsodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate
SMILESO=C([O-])c1scc(CN2CCOCC2)c1Cl.[Na+]
InChIInChI=1S/C10H12ClNO3S.Na/c11-8-7(6-16-9(8)10(13)14)5-12-1-3-15-4-2-12;/h6H,1-5H2,(H,13,14);/q;+1/p-1
InChIKeyBLWWPCSQGKUJJB-UHFFFAOYSA-M
MW283.71 g/mol
LogP-2.40
Rot. Bonds3

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

sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate (PubChem CID 23701467) has the molecular formula C10H11ClNNaO3S and a molecular weight of 283.71 g/mol. Its IUPAC name is sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namesodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate
PubChem CID23701467
Molecular FormulaC10H11ClNNaO3S
Molecular Weight283.71 g/mol
Exact Mass283.00
IUPAC Namesodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate
SMILESO=C([O-])c1scc(CN2CCOCC2)c1Cl.[Na+]
InChIInChI=1S/C10H12ClNO3S.Na/c11-8-7(6-16-9(8)10(13)14)5-12-1-3-15-4-2-12;/h6H,1-5H2,(H,13,14);/q;+1/p-1
InChIKeyBLWWPCSQGKUJJB-UHFFFAOYSA-M
XLogP-2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
The IUPAC name of sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate (CID 23701467) is sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate.
What is the SMILES notation for sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
The canonical SMILES for sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate is O=C([O-])c1scc(CN2CCOCC2)c1Cl.[Na+].
What is the InChIKey of sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
The InChIKey is BLWWPCSQGKUJJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12ClNO3S.Na/c11-8-7(6-16-9(8)10(13)14)5-12-1-3-15-4-2-12;/h6H,1-5H2,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate has a molecular weight of 283.71 g/mol, XLogP of -2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-chloro-4-(morpholin-4-ylmethyl)thiophene-2-carboxylate is sourced from PubChem (CID 23701467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).