1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole

C10H12N4O2S2 — CID 99877442

IUPAC1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole
SMILESO=S(=O)(c1cccs1)N1CC[C@@H](n2ccnn2)C1
InChIInChI=1S/C10H12N4O2S2/c15-18(16,10-2-1-7-17-10)13-5-3-9(8-13)14-6-4-11-12-14/h1-2,4,6-7,9H,3,5,8H2/t9-/m1/s1
InChIKeyJXTHGTPFZXBWRX-SECBINFHSA-N
MW284.37 g/mol
LogP0.98
Rot. Bonds3

About 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole

1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole (PubChem CID 99877442) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole
PubChem CID99877442
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole
SMILESO=S(=O)(c1cccs1)N1CC[C@@H](n2ccnn2)C1
InChIInChI=1S/C10H12N4O2S2/c15-18(16,10-2-1-7-17-10)13-5-3-9(8-13)14-6-4-11-12-14/h1-2,4,6-7,9H,3,5,8H2/t9-/m1/s1
InChIKeyJXTHGTPFZXBWRX-SECBINFHSA-N
XLogP0.98
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole?
The IUPAC name of 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole (CID 99877442) is 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole.
What is the SMILES notation for 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole?
The canonical SMILES for 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole is O=S(=O)(c1cccs1)N1CC[C@@H](n2ccnn2)C1.
What is the InChIKey of 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole?
The InChIKey is JXTHGTPFZXBWRX-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c15-18(16,10-2-1-7-17-10)13-5-3-9(8-13)14-6-4-11-12-14/h1-2,4,6-7,9H,3,5,8H2/t9-/m1/s1.
What are the key properties of 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole?
1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole has a molecular weight of 284.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]triazole is sourced from PubChem (CID 99877442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).