4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid

C15H20N2O6S2 — CID 119239114

IUPAC4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CCO1
InChIInChI=1S/C15H20N2O6S2/c18-13(16-7-8-23-12(10-16)15(19)20)9-11-3-4-14(24-11)25(21,22)17-5-1-2-6-17/h3-4,12H,1-2,5-10H2,(H,19,20)
InChIKeyXZZFBSNTQFMWFZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.39
Rot. Bonds5

About 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid

4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid (PubChem CID 119239114) has the molecular formula C15H20N2O6S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid
PubChem CID119239114
Molecular FormulaC15H20N2O6S2
Molecular Weight388.47 g/mol
Exact Mass388.08
IUPAC Name4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CCO1
InChIInChI=1S/C15H20N2O6S2/c18-13(16-7-8-23-12(10-16)15(19)20)9-11-3-4-14(24-11)25(21,22)17-5-1-2-6-17/h3-4,12H,1-2,5-10H2,(H,19,20)
InChIKeyXZZFBSNTQFMWFZ-UHFFFAOYSA-N
XLogP0.39
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-(3-aminopiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119379191
1-(3-methylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119578248
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
CID 119238696
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119545474
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 34347338
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 55496650
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 55369200
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone;hydrochloride
CID 119633329
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 55330438
phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 8765493

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid (CID 119239114) is 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CCO1.
What is the InChIKey of 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid?
The InChIKey is XZZFBSNTQFMWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S2/c18-13(16-7-8-23-12(10-16)15(19)20)9-11-3-4-14(24-11)25(21,22)17-5-1-2-6-17/h3-4,12H,1-2,5-10H2,(H,19,20).
What are the key properties of 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid?
4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).