2-(4-butylsulfonylpiperazin-1-yl)propanamide

C11H23N3O3S — CID 110750511

IUPAC2-(4-butylsulfonylpiperazin-1-yl)propanamide
SMILESCCCCS(=O)(=O)N1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-3-4-9-18(16,17)14-7-5-13(6-8-14)10(2)11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)
InChIKeyQGJMZTQMPSOSMN-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.39
Rot. Bonds6

About 2-(4-butylsulfonylpiperazin-1-yl)propanamide

2-(4-butylsulfonylpiperazin-1-yl)propanamide (PubChem CID 110750511) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(4-butylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-butylsulfonylpiperazin-1-yl)propanamide
PubChem CID110750511
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-(4-butylsulfonylpiperazin-1-yl)propanamide
SMILESCCCCS(=O)(=O)N1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-3-4-9-18(16,17)14-7-5-13(6-8-14)10(2)11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)
InChIKeyQGJMZTQMPSOSMN-UHFFFAOYSA-N
XLogP-0.39
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of 2-(4-butylsulfonylpiperazin-1-yl)propanamide (CID 110750511) is 2-(4-butylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-(4-butylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-(4-butylsulfonylpiperazin-1-yl)propanamide is CCCCS(=O)(=O)N1CCN(C(C)C(N)=O)CC1.
What is the InChIKey of 2-(4-butylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is QGJMZTQMPSOSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-3-4-9-18(16,17)14-7-5-13(6-8-14)10(2)11(12)15/h10H,3-9H2,1-2H3,(H2,12,15).
What are the key properties of 2-(4-butylsulfonylpiperazin-1-yl)propanamide?
2-(4-butylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 277.39 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 110750511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).