N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide

C14H23N3O2S — CID 114695395

IUPACN-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CCCNC1C
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)14-9-5-4-7-13(14)17-12-8-6-10-15-11(12)2/h4-5,7,9,11-12,15-17H,3,6,8,10H2,1-2H3
InChIKeyYWTHWPPSRQZHOI-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.54
Rot. Bonds5

About N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide

N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide (PubChem CID 114695395) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
PubChem CID114695395
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CCCNC1C
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)14-9-5-4-7-13(14)17-12-8-6-10-15-11(12)2/h4-5,7,9,11-12,15-17H,3,6,8,10H2,1-2H3
InChIKeyYWTHWPPSRQZHOI-UHFFFAOYSA-N
XLogP1.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695588
2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
CID 64815678
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 43454387
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide
CID 43615439
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 81118453
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
CID 43568435
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-ethylbenzenesulfonamide
CID 102683641
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
CID 43454559

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide (CID 114695395) is N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NC1CCCNC1C.
What is the InChIKey of N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide?
The InChIKey is YWTHWPPSRQZHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-16-20(18,19)14-9-5-4-7-13(14)17-12-8-6-10-15-11(12)2/h4-5,7,9,11-12,15-17H,3,6,8,10H2,1-2H3.
What are the key properties of N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide?
N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 114695395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).