2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid

C10H13NO4S2 — CID 116681724

IUPAC2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C10H13NO4S2/c1-7(10(12)13)8-5-11(6-8)17(14,15)9-3-2-4-16-9/h2-4,7-8H,5-6H2,1H3,(H,12,13)
InChIKeyKYCGKBZZBUARED-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.09
Rot. Bonds4

About 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid

2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid (PubChem CID 116681724) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid
PubChem CID116681724
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C10H13NO4S2/c1-7(10(12)13)8-5-11(6-8)17(14,15)9-3-2-4-16-9/h2-4,7-8H,5-6H2,1H3,(H,12,13)
InChIKeyKYCGKBZZBUARED-UHFFFAOYSA-N
XLogP1.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
2-[1-(4-methylphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681735
(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one
CID 95088696
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
CID 79311323
(2R)-4-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 97169349
N-(2-methylpropyl)-N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55602177
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 7832332
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 98301626
(3S)-N-[(1S)-3-methyl-1-phenylbutyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94012606
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid?
The IUPAC name of 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid (CID 116681724) is 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid?
The canonical SMILES for 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid is CC(C(=O)O)C1CN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid?
The InChIKey is KYCGKBZZBUARED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-7(10(12)13)8-5-11(6-8)17(14,15)9-3-2-4-16-9/h2-4,7-8H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid?
2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid is sourced from PubChem (CID 116681724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).