2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid

C10H13NO5S2 — CID 2380528

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C10H13NO5S2/c12-9(13)7-8-1-2-10(17-8)18(14,15)11-3-5-16-6-4-11/h1-2H,3-7H2,(H,12,13)
InChIKeyVTNRTTDFAKWFGC-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.40
Rot. Bonds4

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid (PubChem CID 2380528) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid
PubChem CID2380528
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C10H13NO5S2/c12-9(13)7-8-1-2-10(17-8)18(14,15)11-3-5-16-6-4-11/h1-2H,3-7H2,(H,12,13)
InChIKeyVTNRTTDFAKWFGC-UHFFFAOYSA-N
XLogP0.40
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid (CID 2380528) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid is O=C(O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid?
The InChIKey is VTNRTTDFAKWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c12-9(13)7-8-1-2-10(17-8)18(14,15)11-3-5-16-6-4-11/h1-2H,3-7H2,(H,12,13).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid has a molecular weight of 291.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid is sourced from PubChem (CID 2380528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).