2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole

C9H14N4O2S — CID 121178812

IUPAC2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole
SMILESO=S(=O)(C1CC1)N1CCC(n2nccn2)C1
InChIInChI=1S/C9H14N4O2S/c14-16(15,9-1-2-9)12-6-3-8(7-12)13-10-4-5-11-13/h4-5,8-9H,1-3,6-7H2
InChIKeyMOJCFFWQPGXDSL-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.02
Rot. Bonds3

About 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole

2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole (PubChem CID 121178812) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole
PubChem CID121178812
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole
SMILESO=S(=O)(C1CC1)N1CCC(n2nccn2)C1
InChIInChI=1S/C9H14N4O2S/c14-16(15,9-1-2-9)12-6-3-8(7-12)13-10-4-5-11-13/h4-5,8-9H,1-3,6-7H2
InChIKeyMOJCFFWQPGXDSL-UHFFFAOYSA-N
XLogP0.02
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole?
The IUPAC name of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole (CID 121178812) is 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole.
What is the SMILES notation for 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole?
The canonical SMILES for 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole is O=S(=O)(C1CC1)N1CCC(n2nccn2)C1.
What is the InChIKey of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole?
The InChIKey is MOJCFFWQPGXDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c14-16(15,9-1-2-9)12-6-3-8(7-12)13-10-4-5-11-13/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole?
2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole has a molecular weight of 242.30 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)triazole is sourced from PubChem (CID 121178812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).