4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide

C15H25N3O2S — CID 63594648

IUPAC4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide
SMILESCC(N)C1CCN(S(=O)(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-13(16)15-8-10-18(11-9-15)21(19,20)17(2)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12,16H2,1-2H3
InChIKeyZDPGEUWVOKVGLE-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds5

About 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide

4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide (PubChem CID 63594648) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide
PubChem CID63594648
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide
SMILESCC(N)C1CCN(S(=O)(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-13(16)15-8-10-18(11-9-15)21(19,20)17(2)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12,16H2,1-2H3
InChIKeyZDPGEUWVOKVGLE-UHFFFAOYSA-N
XLogP1.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115301795
(3R,4S)-N-benzyl-3-(dimethylamino)-N-methyl-4-propan-2-ylpyrrolidine-1-sulfonamide
CID 164629694
3-amino-N-benzyl-4-cyclopropyl-N-methylpyrrolidine-1-sulfonamide
CID 156605285
N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 60921183
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119518811
N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 110706002
(1S,5S)-N-benzyl-N-methyl-6-propyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133128916
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
CID 61013841
(4S,9aR)-N-benzyl-N-methyl-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-sulfonamide;hydrochloride
CID 155938413
(1S,5R)-N-benzyl-N,6-dimethyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 70751859

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide (CID 63594648) is 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide is CC(N)C1CCN(S(=O)(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide?
The InChIKey is ZDPGEUWVOKVGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13(16)15-8-10-18(11-9-15)21(19,20)17(2)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12,16H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide?
4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 63594648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).