N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride

C11H23ClN2O3S — CID 120875093

IUPACN-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)C2CCCOC2)CC1.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-12-10-4-6-13(7-5-10)17(14,15)11-3-2-8-16-9-11;/h10-12H,2-9H2,1H3;1H
InChIKeyPGIUQGWIAWHJAP-UHFFFAOYSA-N
MW298.84 g/mol
LogP0.60
Rot. Bonds3

About N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride

N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride (PubChem CID 120875093) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
PubChem CID120875093
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC NameN-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)C2CCCOC2)CC1.Cl
InChIInChI=1S/C11H22N2O3S.ClH/c1-12-10-4-6-13(7-5-10)17(14,15)11-3-2-8-16-9-11;/h10-12H,2-9H2,1H3;1H
InChIKeyPGIUQGWIAWHJAP-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride (CID 120875093) is N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride is CNC1CCN(S(=O)(=O)C2CCCOC2)CC1.Cl.
What is the InChIKey of N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride?
The InChIKey is PGIUQGWIAWHJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S.ClH/c1-12-10-4-6-13(7-5-10)17(14,15)11-3-2-8-16-9-11;/h10-12H,2-9H2,1H3;1H.
What are the key properties of N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride?
N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120875093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).