N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide

C16H25N3O3S — CID 119398279

IUPACN-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N1CCCC(CNC)C1
InChIInChI=1S/C16H25N3O3S/c1-3-23(21,22)18-15-9-5-4-8-14(15)16(20)19-10-6-7-13(12-19)11-17-2/h4-5,8-9,13,17-18H,3,6-7,10-12H2,1-2H3
InChIKeyBSBWVQFLHSFELB-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.52
Rot. Bonds6

About N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide

N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide (PubChem CID 119398279) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
PubChem CID119398279
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N1CCCC(CNC)C1
InChIInChI=1S/C16H25N3O3S/c1-3-23(21,22)18-15-9-5-4-8-14(15)16(20)19-10-6-7-13(12-19)11-17-2/h4-5,8-9,13,17-18H,3,6-7,10-12H2,1-2H3
InChIKeyBSBWVQFLHSFELB-UHFFFAOYSA-N
XLogP1.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 51096518
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119394700
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide (CID 119398279) is N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1C(=O)N1CCCC(CNC)C1.
What is the InChIKey of N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide?
The InChIKey is BSBWVQFLHSFELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-23(21,22)18-15-9-5-4-8-14(15)16(20)19-10-6-7-13(12-19)11-17-2/h4-5,8-9,13,17-18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide?
N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 119398279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).