2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine

C14H28N2O2S — CID 134473400

IUPAC2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)C2CCN(C(C)C)C2)C(C)C1
InChIInChI=1S/C14H28N2O2S/c1-11(2)15-7-6-14(10-15)19(17,18)16-8-5-12(3)9-13(16)4/h11-14H,5-10H2,1-4H3
InChIKeyVRUDOZZYXKPKBO-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.92
Rot. Bonds3

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

2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine (PubChem CID 134473400) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine.

Molecular Properties

Compound Name2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine
PubChem CID134473400
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)C2CCN(C(C)C)C2)C(C)C1
InChIInChI=1S/C14H28N2O2S/c1-11(2)15-7-6-14(10-15)19(17,18)16-8-5-12(3)9-13(16)4/h11-14H,5-10H2,1-4H3
InChIKeyVRUDOZZYXKPKBO-UHFFFAOYSA-N
XLogP1.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine?
The IUPAC name of 2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine (CID 134473400) is 2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine.
What is the SMILES notation for 2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine?
The canonical SMILES for 2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine is CC1CCN(S(=O)(=O)C2CCN(C(C)C)C2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine?
The InChIKey is VRUDOZZYXKPKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-11(2)15-7-6-14(10-15)19(17,18)16-8-5-12(3)9-13(16)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine?
2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine has a molecular weight of 288.46 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(1-propan-2-ylpyrrolidin-3-yl)sulfonylpiperidine is sourced from PubChem (CID 134473400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).