2-(1-piperidin-3-ylethylamino)benzenesulfonamide

C13H21N3O2S — CID 62046742

IUPAC2-(1-piperidin-3-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccccc1S(N)(=O)=O)C1CCCNC1
InChIInChI=1S/C13H21N3O2S/c1-10(11-5-4-8-15-9-11)16-12-6-2-3-7-13(12)19(14,17)18/h2-3,6-7,10-11,15-16H,4-5,8-9H2,1H3,(H2,14,17,18)
InChIKeyMBVAOJGJLFDHBO-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.13
Rot. Bonds4

About 2-(1-piperidin-3-ylethylamino)benzenesulfonamide

2-(1-piperidin-3-ylethylamino)benzenesulfonamide (PubChem CID 62046742) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(1-piperidin-3-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(1-piperidin-3-ylethylamino)benzenesulfonamide
PubChem CID62046742
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-(1-piperidin-3-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccccc1S(N)(=O)=O)C1CCCNC1
InChIInChI=1S/C13H21N3O2S/c1-10(11-5-4-8-15-9-11)16-12-6-2-3-7-13(12)19(14,17)18/h2-3,6-7,10-11,15-16H,4-5,8-9H2,1H3,(H2,14,17,18)
InChIKeyMBVAOJGJLFDHBO-UHFFFAOYSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropylethylamino)benzenesulfonamide
CID 43533533
2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine
CID 22184580
3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
CID 62631758
2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
CID 114884744
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride
CID 119970304
N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 119970410
6-methyl-2-(1-piperidin-3-ylethylamino)pyridine-3-carboxamide
CID 62047261
N-(1-piperidin-3-ylethyl)furan-2-sulfonamide
CID 120874778
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-3-ylethylamino)benzenesulfonamide?
The IUPAC name of 2-(1-piperidin-3-ylethylamino)benzenesulfonamide (CID 62046742) is 2-(1-piperidin-3-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 2-(1-piperidin-3-ylethylamino)benzenesulfonamide?
The canonical SMILES for 2-(1-piperidin-3-ylethylamino)benzenesulfonamide is CC(Nc1ccccc1S(N)(=O)=O)C1CCCNC1.
What is the InChIKey of 2-(1-piperidin-3-ylethylamino)benzenesulfonamide?
The InChIKey is MBVAOJGJLFDHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(11-5-4-8-15-9-11)16-12-6-2-3-7-13(12)19(14,17)18/h2-3,6-7,10-11,15-16H,4-5,8-9H2,1H3,(H2,14,17,18).
What are the key properties of 2-(1-piperidin-3-ylethylamino)benzenesulfonamide?
2-(1-piperidin-3-ylethylamino)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-3-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 62046742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).