1-pentan-3-ylsulfonylpiperazine

C9H20N2O2S — CID 130058595

IUPAC1-pentan-3-ylsulfonylpiperazine
SMILESCCC(CC)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-3-9(4-2)14(12,13)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3
InChIKeyIMVJKJDKLOHTIV-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds4

About 1-pentan-3-ylsulfonylpiperazine

1-pentan-3-ylsulfonylpiperazine (PubChem CID 130058595) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-pentan-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-pentan-3-ylsulfonylpiperazine
PubChem CID130058595
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-pentan-3-ylsulfonylpiperazine
SMILESCCC(CC)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-3-9(4-2)14(12,13)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3
InChIKeyIMVJKJDKLOHTIV-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-ylsulfonylpiperazine?
The IUPAC name of 1-pentan-3-ylsulfonylpiperazine (CID 130058595) is 1-pentan-3-ylsulfonylpiperazine.
What is the SMILES notation for 1-pentan-3-ylsulfonylpiperazine?
The canonical SMILES for 1-pentan-3-ylsulfonylpiperazine is CCC(CC)S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-pentan-3-ylsulfonylpiperazine?
The InChIKey is IMVJKJDKLOHTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-9(4-2)14(12,13)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-pentan-3-ylsulfonylpiperazine?
1-pentan-3-ylsulfonylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-ylsulfonylpiperazine is sourced from PubChem (CID 130058595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).