3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide

C11H19N5O2S — CID 121190795

IUPAC3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H19N5O2S/c1-14(2)19(17,18)15-6-5-10(7-15)16-8-11(12-13-16)9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyBCKVMAPXOXITEP-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.21
Rot. Bonds4

About 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide

3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 121190795) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID121190795
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H19N5O2S/c1-14(2)19(17,18)15-6-5-10(7-15)16-8-11(12-13-16)9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyBCKVMAPXOXITEP-UHFFFAOYSA-N
XLogP0.21
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide (CID 121190795) is 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is BCKVMAPXOXITEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-14(2)19(17,18)15-6-5-10(7-15)16-8-11(12-13-16)9-3-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide?
3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 121190795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).