1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine

C12H25N3O2S — CID 55163105

IUPAC1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine
SMILESCC1(C)CCCN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C12H25N3O2S/c1-12(2)4-3-7-15(12)18(16,17)11-10-14-8-5-13-6-9-14/h13H,3-11H2,1-2H3
InChIKeyHMGPLSRWXHPRRH-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.10
Rot. Bonds4

About 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine

1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine (PubChem CID 55163105) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine
PubChem CID55163105
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine
SMILESCC1(C)CCCN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C12H25N3O2S/c1-12(2)4-3-7-15(12)18(16,17)11-10-14-8-5-13-6-9-14/h13H,3-11H2,1-2H3
InChIKeyHMGPLSRWXHPRRH-UHFFFAOYSA-N
XLogP0.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine?
The IUPAC name of 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine (CID 55163105) is 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine.
What is the SMILES notation for 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine?
The canonical SMILES for 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine is CC1(C)CCCN1S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine?
The InChIKey is HMGPLSRWXHPRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-12(2)4-3-7-15(12)18(16,17)11-10-14-8-5-13-6-9-14/h13H,3-11H2,1-2H3.
What are the key properties of 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine?
1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine has a molecular weight of 275.42 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine is sourced from PubChem (CID 55163105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).