5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride

C15H24ClN3O4S — CID 119468592

IUPAC5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCCC2CN)ccc1OC.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-17-23(20,21)14-9-11(6-7-13(14)22-2)15(19)18-8-4-3-5-12(18)10-16;/h6-7,9,12,17H,3-5,8,10,16H2,1-2H3;1H
InChIKeyMXRFTXCKLOYMNX-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.98
Rot. Bonds5

About 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride

5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119468592) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119468592
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC Name5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCCC2CN)ccc1OC.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-17-23(20,21)14-9-11(6-7-13(14)22-2)15(19)18-8-4-3-5-12(18)10-16;/h6-7,9,12,17H,3-5,8,10,16H2,1-2H3;1H
InChIKeyMXRFTXCKLOYMNX-UHFFFAOYSA-N
XLogP0.98
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 60574977
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974631
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631968
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-methoxy-3-phenylphenyl)methanone
CID 124688652
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride (CID 119468592) is 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride is CNS(=O)(=O)c1cc(C(=O)N2CCCCC2CN)ccc1OC.Cl.
What is the InChIKey of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is MXRFTXCKLOYMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-17-23(20,21)14-9-11(6-7-13(14)22-2)15(19)18-8-4-3-5-12(18)10-16;/h6-7,9,12,17H,3-5,8,10,16H2,1-2H3;1H.
What are the key properties of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride?
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119468592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).