4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine

C13H26N2O2S — CID 134473399

IUPAC4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)C2CCN(C(C)C)C2)CC1
InChIInChI=1S/C13H26N2O2S/c1-11(2)14-7-6-13(10-14)18(16,17)15-8-4-12(3)5-9-15/h11-13H,4-10H2,1-3H3
InChIKeyWYHULXGNCQFFGN-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.53
Rot. Bonds3

About 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine

4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine (PubChem CID 134473399) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine
PubChem CID134473399
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)C2CCN(C(C)C)C2)CC1
InChIInChI=1S/C13H26N2O2S/c1-11(2)14-7-6-13(10-14)18(16,17)15-8-4-12(3)5-9-15/h11-13H,4-10H2,1-3H3
InChIKeyWYHULXGNCQFFGN-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine?
The IUPAC name of 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine (CID 134473399) is 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine is CC1CCN(S(=O)(=O)C2CCN(C(C)C)C2)CC1.
What is the InChIKey of 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine?
The InChIKey is WYHULXGNCQFFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11(2)14-7-6-13(10-14)18(16,17)15-8-4-12(3)5-9-15/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine?
4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine has a molecular weight of 274.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine is sourced from PubChem (CID 134473399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).