3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide

C13H20N2O3S — CID 55190032

IUPAC3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NC2CCCOC2)c1
InChIInChI=1S/C13H20N2O3S/c1-10(14)11-4-2-6-13(8-11)19(16,17)15-12-5-3-7-18-9-12/h2,4,6,8,10,12,15H,3,5,7,9,14H2,1H3
InChIKeyHQTBELOQSPUTDP-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.16
Rot. Bonds4

About 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide

3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide (PubChem CID 55190032) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide
PubChem CID55190032
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NC2CCCOC2)c1
InChIInChI=1S/C13H20N2O3S/c1-10(14)11-4-2-6-13(8-11)19(16,17)15-12-5-3-7-18-9-12/h2,4,6,8,10,12,15H,3,5,7,9,14H2,1H3
InChIKeyHQTBELOQSPUTDP-UHFFFAOYSA-N
XLogP1.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
3-N-(oxan-3-yl)benzene-1,3-disulfonamide
CID 63361521
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
3-(1-aminoethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61464998
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706048
(3-methylsulfonylphenyl)-(oxan-3-yl)methanamine
CID 107139201
3-(1-aminoethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739570
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
2-methyl-4-(oxan-3-ylsulfamoyl)benzenecarbothioamide
CID 106920211
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
3-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916220

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide (CID 55190032) is 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide is CC(N)c1cccc(S(=O)(=O)NC2CCCOC2)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is HQTBELOQSPUTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(14)11-4-2-6-13(8-11)19(16,17)15-12-5-3-7-18-9-12/h2,4,6,8,10,12,15H,3,5,7,9,14H2,1H3.
What are the key properties of 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide?
3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 55190032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).