3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

C15H26N4O2S — CID 47811919

IUPAC3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCC1CCC(C)N1C1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H26N4O2S/c1-12-6-7-13(2)19(12)14-5-4-8-18(10-14)22(20,21)15-9-16-17(3)11-15/h9,11-14H,4-8,10H2,1-3H3
InChIKeyHHGKQMWQBHDTLJ-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.45
Rot. Bonds3

About 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine

3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 47811919) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
PubChem CID47811919
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCC1CCC(C)N1C1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H26N4O2S/c1-12-6-7-13(2)19(12)14-5-4-8-18(10-14)22(20,21)15-9-16-17(3)11-15/h9,11-14H,4-8,10H2,1-3H3
InChIKeyHHGKQMWQBHDTLJ-UHFFFAOYSA-N
XLogP1.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine (CID 47811919) is 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is CC1CCC(C)N1C1CCCN(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is HHGKQMWQBHDTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12-6-7-13(2)19(12)14-5-4-8-18(10-14)22(20,21)15-9-16-17(3)11-15/h9,11-14H,4-8,10H2,1-3H3.
What are the key properties of 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine?
3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 326.47 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 47811919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).