N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride

C14H24ClN3O2S — CID 119976296

IUPACN-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCC1CCN(S(=O)(=O)NCC(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-12-7-9-17(10-8-12)20(18,19)16-11-14(15)13-5-3-2-4-6-13;/h2-6,12,14,16H,7-11,15H2,1H3;1H
InChIKeyVDBREORORHRMMN-UHFFFAOYSA-N
MW333.88 g/mol
LogP1.67
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride

N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride (PubChem CID 119976296) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.88 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
PubChem CID119976296
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.88 g/mol
Exact Mass333.13
IUPAC NameN-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
SMILESCC1CCN(S(=O)(=O)NCC(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-12-7-9-17(10-8-12)20(18,19)16-11-14(15)13-5-3-2-4-6-13;/h2-6,12,14,16H,7-11,15H2,1H3;1H
InChIKeyVDBREORORHRMMN-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124670346
N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
CID 65030816
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 62966636
(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147251
(2S)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 124682455
(2R)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147250
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119952808
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
CID 75765827
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
CID 47068811
N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119976164
N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43508625

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride (CID 119976296) is N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride is CC1CCN(S(=O)(=O)NCC(N)c2ccccc2)CC1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride?
The InChIKey is VDBREORORHRMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-12-7-9-17(10-8-12)20(18,19)16-11-14(15)13-5-3-2-4-6-13;/h2-6,12,14,16H,7-11,15H2,1H3;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride has a molecular weight of 333.88 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119976296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).