2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine

C10H21N3O2S — CID 65460556

IUPAC2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
SMILESCC1(C)CNCCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H21N3O2S/c1-10(2)9-11-5-8-13(10)16(14,15)12-6-3-4-7-12/h11H,3-9H2,1-2H3
InChIKeyPITXGJPHABUZJU-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.01
Rot. Bonds2

About 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine

2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 65460556) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID65460556
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
SMILESCC1(C)CNCCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H21N3O2S/c1-10(2)9-11-5-8-13(10)16(14,15)12-6-3-4-7-12/h11H,3-9H2,1-2H3
InChIKeyPITXGJPHABUZJU-UHFFFAOYSA-N
XLogP0.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine (CID 65460556) is 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine is CC1(C)CNCCN1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is PITXGJPHABUZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-10(2)9-11-5-8-13(10)16(14,15)12-6-3-4-7-12/h11H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine?
2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 247.36 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 65460556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).