N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide

C17H28N4O3S — CID 119916692

IUPACN-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C17H28N4O3S/c1-20(2)25(23,24)16-7-3-5-14(11-16)12-21-10-4-6-15(13-21)17(22)19-9-8-18/h3,5,7,11,15H,4,6,8-10,12-13,18H2,1-2H3,(H,19,22)
InChIKeyJXYMPBGMYXGKKH-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.22
Rot. Bonds7

About N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119916692) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119916692
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C17H28N4O3S/c1-20(2)25(23,24)16-7-3-5-14(11-16)12-21-10-4-6-15(13-21)17(22)19-9-8-18/h3,5,7,11,15H,4,6,8-10,12-13,18H2,1-2H3,(H,19,22)
InChIKeyJXYMPBGMYXGKKH-UHFFFAOYSA-N
XLogP0.22
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[3-(2-aminoethylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 120837370
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114681418
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81431674
N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120837238
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
N-(2-aminoethyl)-1-[2-[benzyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119916928
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide (CID 119916692) is N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide is CN(C)S(=O)(=O)c1cccc(CN2CCCC(C(=O)NCCN)C2)c1.
What is the InChIKey of N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is JXYMPBGMYXGKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-20(2)25(23,24)16-7-3-5-14(11-16)12-21-10-4-6-15(13-21)17(22)19-9-8-18/h3,5,7,11,15H,4,6,8-10,12-13,18H2,1-2H3,(H,19,22).
What are the key properties of N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119916692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).