N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide

C14H23N3O2S — CID 28731349

IUPACN-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
SMILESCCN1CCC(Nc2cccc(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-17-9-7-12(8-10-17)15-13-5-4-6-14(11-13)16-20(2,18)19/h4-6,11-12,15-16H,3,7-10H2,1-2H3
InChIKeyJOXAVFNKUQDICI-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.95
Rot. Bonds5

About N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide

N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide (PubChem CID 28731349) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
PubChem CID28731349
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide
SMILESCCN1CCC(Nc2cccc(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-17-9-7-12(8-10-17)15-13-5-4-6-14(11-13)16-20(2,18)19/h4-6,11-12,15-16H,3,7-10H2,1-2H3
InChIKeyJOXAVFNKUQDICI-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
N-[3-(aminomethyl)phenyl]-1-ethylpiperidin-4-amine
CID 174624334
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
CID 43131792
N-(3-bromophenyl)-1-ethylazepan-4-amine
CID 65072536
N-[3-[(3,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64732200
N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide
CID 43724371
N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide
CID 167888807
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
N-[3-(3,6-diethyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide
CID 59878281
3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39135117
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide (CID 28731349) is N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide is CCN1CCC(Nc2cccc(NS(C)(=O)=O)c2)CC1.
What is the InChIKey of N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide?
The InChIKey is JOXAVFNKUQDICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17-9-7-12(8-10-17)15-13-5-4-6-14(11-13)16-20(2,18)19/h4-6,11-12,15-16H,3,7-10H2,1-2H3.
What are the key properties of N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide?
N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 28731349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).