2-propan-2-ylsulfonylpiperazine

C7H16N2O2S — CID 173179926

IUPAC2-propan-2-ylsulfonylpiperazine
SMILESCC(C)S(=O)(=O)C1CNCCN1
InChIInChI=1S/C7H16N2O2S/c1-6(2)12(10,11)7-5-8-3-4-9-7/h6-9H,3-5H2,1-2H3
InChIKeyFMNYIWFLQOVMSU-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.67
Rot. Bonds2

About 2-propan-2-ylsulfonylpiperazine

2-propan-2-ylsulfonylpiperazine (PubChem CID 173179926) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-propan-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name2-propan-2-ylsulfonylpiperazine
PubChem CID173179926
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-propan-2-ylsulfonylpiperazine
SMILESCC(C)S(=O)(=O)C1CNCCN1
InChIInChI=1S/C7H16N2O2S/c1-6(2)12(10,11)7-5-8-3-4-9-7/h6-9H,3-5H2,1-2H3
InChIKeyFMNYIWFLQOVMSU-UHFFFAOYSA-N
XLogP-0.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonylpiperazine?
The IUPAC name of 2-propan-2-ylsulfonylpiperazine (CID 173179926) is 2-propan-2-ylsulfonylpiperazine.
What is the SMILES notation for 2-propan-2-ylsulfonylpiperazine?
The canonical SMILES for 2-propan-2-ylsulfonylpiperazine is CC(C)S(=O)(=O)C1CNCCN1.
What is the InChIKey of 2-propan-2-ylsulfonylpiperazine?
The InChIKey is FMNYIWFLQOVMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6(2)12(10,11)7-5-8-3-4-9-7/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfonylpiperazine?
2-propan-2-ylsulfonylpiperazine has a molecular weight of 192.28 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonylpiperazine is sourced from PubChem (CID 173179926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).