2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide

C14H22N4O2S — CID 66201049

IUPAC2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H22N4O2S/c1-15-21(19,20)14-5-3-2-4-13(14)18-8-6-17(7-9-18)12-10-16-11-12/h2-5,12,15-16H,6-11H2,1H3
InChIKeyJSKIBNNNMRNWLG-UHFFFAOYSA-N
MW310.42 g/mol
LogP-0.31
Rot. Bonds4

About 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide

2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 66201049) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
PubChem CID66201049
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H22N4O2S/c1-15-21(19,20)14-5-3-2-4-13(14)18-8-6-17(7-9-18)12-10-16-11-12/h2-5,12,15-16H,6-11H2,1H3
InChIKeyJSKIBNNNMRNWLG-UHFFFAOYSA-N
XLogP-0.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide (CID 66201049) is 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1N1CCN(C2CNC2)CC1.
What is the InChIKey of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is JSKIBNNNMRNWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-15-21(19,20)14-5-3-2-4-13(14)18-8-6-17(7-9-18)12-10-16-11-12/h2-5,12,15-16H,6-11H2,1H3.
What are the key properties of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide?
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 66201049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).