N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

C13H20N2O3S — CID 63767527

IUPACN-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESNCCOCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H20N2O3S/c14-6-8-18-9-7-15-19(16,17)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,15H,1-3,6-9,14H2
InChIKeyGEEBZZWLTAJXRY-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.43
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 63767527) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID63767527
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESNCCOCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H20N2O3S/c14-6-8-18-9-7-15-19(16,17)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,15H,1-3,6-9,14H2
InChIKeyGEEBZZWLTAJXRY-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114295990
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376
N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110604182
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 55243530
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953193
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 120715722
N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120717803
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 63767527) is N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is NCCOCCNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is GEEBZZWLTAJXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-6-8-18-9-7-15-19(16,17)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,15H,1-3,6-9,14H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 63767527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).