1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium

C10H22N3O3S+ — CID 167407412

IUPAC1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium
SMILESC[NH+]1CCCC(N(C2CCOC2)S(N)(=O)=O)C1
InChIInChI=1S/C10H21N3O3S/c1-12-5-2-3-9(7-12)13(17(11,14)15)10-4-6-16-8-10/h9-10H,2-8H2,1H3,(H2,11,14,15)/p+1
InChIKeyDBFCMLDOWHSDQY-UHFFFAOYSA-O
MW264.37 g/mol
LogP-2.04
Rot. Bonds3

About 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium

1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium (PubChem CID 167407412) has the molecular formula C10H22N3O3S+ and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium
PubChem CID167407412
Molecular FormulaC10H22N3O3S+
Molecular Weight264.37 g/mol
Exact Mass264.14
IUPAC Name1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium
SMILESC[NH+]1CCCC(N(C2CCOC2)S(N)(=O)=O)C1
InChIInChI=1S/C10H21N3O3S/c1-12-5-2-3-9(7-12)13(17(11,14)15)10-4-6-16-8-10/h9-10H,2-8H2,1H3,(H2,11,14,15)/p+1
InChIKeyDBFCMLDOWHSDQY-UHFFFAOYSA-O
XLogP-2.04
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium?
The IUPAC name of 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium (CID 167407412) is 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium.
What is the SMILES notation for 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium?
The canonical SMILES for 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium is C[NH+]1CCCC(N(C2CCOC2)S(N)(=O)=O)C1.
What is the InChIKey of 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium?
The InChIKey is DBFCMLDOWHSDQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21N3O3S/c1-12-5-2-3-9(7-12)13(17(11,14)15)10-4-6-16-8-10/h9-10H,2-8H2,1H3,(H2,11,14,15)/p+1.
What are the key properties of 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium?
1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium has a molecular weight of 264.37 g/mol, XLogP of -2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidin-1-ium is sourced from PubChem (CID 167407412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).