3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine

C8H9ClN4O2S2 — CID 172905067

IUPAC3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
SMILES[N-]=[N+]=NC1CCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C8H9ClN4O2S2/c9-7-1-2-8(16-7)17(14,15)13-4-3-6(5-13)11-12-10/h1-2,6H,3-5H2
InChIKeyUGTOLPOQRZSOEX-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.47
Rot. Bonds3

About 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine

3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine (PubChem CID 172905067) has the molecular formula C8H9ClN4O2S2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
PubChem CID172905067
Molecular FormulaC8H9ClN4O2S2
Molecular Weight292.77 g/mol
Exact Mass291.99
IUPAC Name3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
SMILES[N-]=[N+]=NC1CCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C8H9ClN4O2S2/c9-7-1-2-8(16-7)17(14,15)13-4-3-6(5-13)11-12-10/h1-2,6H,3-5H2
InChIKeyUGTOLPOQRZSOEX-UHFFFAOYSA-N
XLogP2.47
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
CID 63845902
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95267954
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
1-(3-azidopyrrolidin-1-yl)sulfonylazepane
CID 172905230
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine (CID 172905067) is 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine is [N-]=[N+]=NC1CCN(S(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is UGTOLPOQRZSOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S2/c9-7-1-2-8(16-7)17(14,15)13-4-3-6(5-13)11-12-10/h1-2,6H,3-5H2.
What are the key properties of 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine?
3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 292.77 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 172905067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).