3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride

C10H24ClN3O2S — CID 119973056

IUPAC3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)N1CC(C)CC(C)C1.Cl
InChIInChI=1S/C10H23N3O2S.ClH/c1-9-6-10(2)8-13(7-9)16(14,15)12-5-4-11-3;/h9-12H,4-8H2,1-3H3;1H
InChIKeyVAPWRSSCASSRFK-UHFFFAOYSA-N
MW285.84 g/mol
LogP0.44
Rot. Bonds5

About 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride

3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride (PubChem CID 119973056) has the molecular formula C10H24ClN3O2S and a molecular weight of 285.84 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
PubChem CID119973056
Molecular FormulaC10H24ClN3O2S
Molecular Weight285.84 g/mol
Exact Mass285.13
IUPAC Name3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)N1CC(C)CC(C)C1.Cl
InChIInChI=1S/C10H23N3O2S.ClH/c1-9-6-10(2)8-13(7-9)16(14,15)12-5-4-11-3;/h9-12H,4-8H2,1-3H3;1H
InChIKeyVAPWRSSCASSRFK-UHFFFAOYSA-N
XLogP0.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 62665167
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973313
N-(3-cyclopentylpropyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 55571821
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide
CID 52530156
(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 99850353
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
CID 107487775
N-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride (CID 119973056) is 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride is CNCCNS(=O)(=O)N1CC(C)CC(C)C1.Cl.
What is the InChIKey of 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride?
The InChIKey is VAPWRSSCASSRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S.ClH/c1-9-6-10(2)8-13(7-9)16(14,15)12-5-4-11-3;/h9-12H,4-8H2,1-3H3;1H.
What are the key properties of 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride?
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride has a molecular weight of 285.84 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119973056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).