1-butylsulfonyl-4-methylpiperazine

C9H20N2O2S — CID 19682546

IUPAC1-butylsulfonyl-4-methylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-4-9-14(12,13)11-7-5-10(2)6-8-11/h3-9H2,1-2H3
InChIKeyBBOAETFISAEZDE-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.36
Rot. Bonds4

About 1-butylsulfonyl-4-methylpiperazine

1-butylsulfonyl-4-methylpiperazine (PubChem CID 19682546) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-butylsulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-methylpiperazine
PubChem CID19682546
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-butylsulfonyl-4-methylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O2S/c1-3-4-9-14(12,13)11-7-5-10(2)6-8-11/h3-9H2,1-2H3
InChIKeyBBOAETFISAEZDE-UHFFFAOYSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-methylpiperazine?
The IUPAC name of 1-butylsulfonyl-4-methylpiperazine (CID 19682546) is 1-butylsulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-4-methylpiperazine?
The canonical SMILES for 1-butylsulfonyl-4-methylpiperazine is CCCCS(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-butylsulfonyl-4-methylpiperazine?
The InChIKey is BBOAETFISAEZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-4-9-14(12,13)11-7-5-10(2)6-8-11/h3-9H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-methylpiperazine?
1-butylsulfonyl-4-methylpiperazine has a molecular weight of 220.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-methylpiperazine is sourced from PubChem (CID 19682546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).