N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide

C13H21N3O3S — CID 43369622

IUPACN-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
SMILESNCCOc1ccc(NS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H21N3O3S/c14-8-11-19-13-6-4-12(5-7-13)15-20(17,18)16-9-2-1-3-10-16/h4-7,15H,1-3,8-11,14H2
InChIKeyLAPRJCQTYISMCS-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.17
Rot. Bonds6

About N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide

N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide (PubChem CID 43369622) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
PubChem CID43369622
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
SMILESNCCOc1ccc(NS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H21N3O3S/c14-8-11-19-13-6-4-12(5-7-13)15-20(17,18)16-9-2-1-3-10-16/h4-7,15H,1-3,8-11,14H2
InChIKeyLAPRJCQTYISMCS-UHFFFAOYSA-N
XLogP1.17
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
N-(4-ethoxyphenyl)azepane-1-sulfonamide
CID 2988232
N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369684
N-(4-propan-2-yloxyphenyl)piperidine-1-sulfonamide
CID 110705941
4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide
CID 106075236
N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
CID 47149085
N-(4-cyanophenyl)piperidine-1-sulfonamide
CID 28785044
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide
CID 61223235
N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide
CID 62303926
N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
CID 43369627
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide (CID 43369622) is N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide is NCCOc1ccc(NS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide?
The InChIKey is LAPRJCQTYISMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-8-11-19-13-6-4-12(5-7-13)15-20(17,18)16-9-2-1-3-10-16/h4-7,15H,1-3,8-11,14H2.
What are the key properties of N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide?
N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43369622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).