2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid

C9H11NO4S2 — CID 43440223

IUPAC2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCC2)s1
InChIInChI=1S/C9H11NO4S2/c11-8(12)6-7-2-3-9(15-7)16(13,14)10-4-1-5-10/h2-3H,1,4-6H2,(H,11,12)
InChIKeyPWYMEUUOOBQLOL-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.77
Rot. Bonds4

About 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid

2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid (PubChem CID 43440223) has the molecular formula C9H11NO4S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid
PubChem CID43440223
Molecular FormulaC9H11NO4S2
Molecular Weight261.32 g/mol
Exact Mass261.01
IUPAC Name2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCC2)s1
InChIInChI=1S/C9H11NO4S2/c11-8(12)6-7-2-3-9(15-7)16(13,14)10-4-1-5-10/h2-3H,1,4-6H2,(H,11,12)
InChIKeyPWYMEUUOOBQLOL-UHFFFAOYSA-N
XLogP0.77
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid (CID 43440223) is 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)N2CCC2)s1.
What is the InChIKey of 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid?
The InChIKey is PWYMEUUOOBQLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S2/c11-8(12)6-7-2-3-9(15-7)16(13,14)10-4-1-5-10/h2-3H,1,4-6H2,(H,11,12).
What are the key properties of 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid?
2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-1-ylsulfonyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 43440223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).