2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid

C11H12ClNO3S2 — CID 66444651

IUPAC2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNO3S2/c12-9-2-1-8(18-9)11(16)13-3-4-17-6-7(13)5-10(14)15/h1-2,7H,3-6H2,(H,14,15)
InChIKeyULMWICUDXYLSCY-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.43
Rot. Bonds3

About 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66444651) has the molecular formula C11H12ClNO3S2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID66444651
Molecular FormulaC11H12ClNO3S2
Molecular Weight305.81 g/mol
Exact Mass304.99
IUPAC Name2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNO3S2/c12-9-2-1-8(18-9)11(16)13-3-4-17-6-7(13)5-10(14)15/h1-2,7H,3-6H2,(H,14,15)
InChIKeyULMWICUDXYLSCY-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-dichlorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445224
2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid
CID 103790667
2-[4-(2-chloro-5-hydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 106500352
2-[4-(4-chloro-2-fluorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445815
2-[4-(6-chloropyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444450
(5-chlorothiophen-2-yl)-[(3S)-3-(morpholin-4-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 97041203
2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 113352819
2-[4-(3,5-dihydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 107702692
2-[4-(2,3-dihydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 114343400
2-[4-(3,5-dibromobenzoyl)thiomorpholin-3-yl]acetic acid
CID 107971553
[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 63395374
1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549466

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid (CID 66444651) is 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is ULMWICUDXYLSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S2/c12-9-2-1-8(18-9)11(16)13-3-4-17-6-7(13)5-10(14)15/h1-2,7H,3-6H2,(H,14,15).
What are the key properties of 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 305.81 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).