(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid

C10H10ClNO4S — CID 124513737

IUPAC(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO4S/c11-8-2-1-7(17-8)9(13)12-3-4-16-5-6(12)10(14)15/h1-2,6H,3-5H2,(H,14,15)/t6-/m0/s1
InChIKeyDFGDFZFNMNAAFX-LURJTMIESA-N
MW275.71 g/mol
LogP1.33
Rot. Bonds2

About (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid

(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid (PubChem CID 124513737) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
PubChem CID124513737
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO4S/c11-8-2-1-7(17-8)9(13)12-3-4-16-5-6(12)10(14)15/h1-2,6H,3-5H2,(H,14,15)/t6-/m0/s1
InChIKeyDFGDFZFNMNAAFX-LURJTMIESA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125152105
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125153686
(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 86794066
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-chlorothiophen-2-yl)methanone
CID 75429662
(3R)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513461
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 114036870
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119525
(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125119497
4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 120521719
(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513410

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid (CID 124513737) is (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is DFGDFZFNMNAAFX-LURJTMIESA-N. The full InChI is InChI=1S/C10H10ClNO4S/c11-8-2-1-7(17-8)9(13)12-3-4-16-5-6(12)10(14)15/h1-2,6H,3-5H2,(H,14,15)/t6-/m0/s1.
What are the key properties of (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 275.71 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 124513737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).