1-butan-2-ylsulfonylpiperazine

C8H18N2O2S — CID 82048450

IUPAC1-butan-2-ylsulfonylpiperazine
SMILESCCC(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H18N2O2S/c1-3-8(2)13(11,12)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyGCATUSMGHZBLQC-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds3

About 1-butan-2-ylsulfonylpiperazine

1-butan-2-ylsulfonylpiperazine (PubChem CID 82048450) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-butan-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-butan-2-ylsulfonylpiperazine
PubChem CID82048450
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-butan-2-ylsulfonylpiperazine
SMILESCCC(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H18N2O2S/c1-3-8(2)13(11,12)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyGCATUSMGHZBLQC-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfonylpiperazine?
The IUPAC name of 1-butan-2-ylsulfonylpiperazine (CID 82048450) is 1-butan-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-butan-2-ylsulfonylpiperazine?
The canonical SMILES for 1-butan-2-ylsulfonylpiperazine is CCC(C)S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-butan-2-ylsulfonylpiperazine?
The InChIKey is GCATUSMGHZBLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-8(2)13(11,12)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-butan-2-ylsulfonylpiperazine?
1-butan-2-ylsulfonylpiperazine has a molecular weight of 206.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfonylpiperazine is sourced from PubChem (CID 82048450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).