1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride

C10H22ClN3O3S — CID 155390084

IUPAC1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride
SMILESCN1CCCC(N(C2CCOC2)S(N)(=O)=O)C1.Cl
InChIInChI=1S/C10H21N3O3S.ClH/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);1H
InChIKeyABRFJBDIJLOQAN-UHFFFAOYSA-N
MW299.82 g/mol
LogP-0.20
Rot. Bonds3

About 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride

1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride (PubChem CID 155390084) has the molecular formula C10H22ClN3O3S and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride
PubChem CID155390084
Molecular FormulaC10H22ClN3O3S
Molecular Weight299.82 g/mol
Exact Mass299.11
IUPAC Name1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride
SMILESCN1CCCC(N(C2CCOC2)S(N)(=O)=O)C1.Cl
InChIInChI=1S/C10H21N3O3S.ClH/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);1H
InChIKeyABRFJBDIJLOQAN-UHFFFAOYSA-N
XLogP-0.20
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride?
The IUPAC name of 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride (CID 155390084) is 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride.
What is the SMILES notation for 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride?
The canonical SMILES for 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride is CN1CCCC(N(C2CCOC2)S(N)(=O)=O)C1.Cl.
What is the InChIKey of 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride?
The InChIKey is ABRFJBDIJLOQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S.ClH/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);1H.
What are the key properties of 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride?
1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride has a molecular weight of 299.82 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[oxolan-3-yl(sulfamoyl)amino]piperidine;hydrochloride is sourced from PubChem (CID 155390084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).