4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide

C13H20N2O3S — CID 63360384

IUPAC4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCCOC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(15-12-3-2-8-18-9-12)11-4-6-13(7-5-11)19(14,16)17/h4-7,10,12,15H,2-3,8-9H2,1H3,(H2,14,16,17)
InChIKeyBPVKIKTVYBOOAF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.16
Rot. Bonds4

About 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide

4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide (PubChem CID 63360384) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
PubChem CID63360384
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
SMILESCC(NC1CCCOC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(15-12-3-2-8-18-9-12)11-4-6-13(7-5-11)19(14,16)17/h4-7,10,12,15H,2-3,8-9H2,1H3,(H2,14,16,17)
InChIKeyBPVKIKTVYBOOAF-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

4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 43681869
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
CID 63360332
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide (CID 63360384) is 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide is CC(NC1CCCOC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide?
The InChIKey is BPVKIKTVYBOOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(15-12-3-2-8-18-9-12)11-4-6-13(7-5-11)19(14,16)17/h4-7,10,12,15H,2-3,8-9H2,1H3,(H2,14,16,17).
What are the key properties of 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide?
4-[1-(oxan-3-ylamino)ethyl]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 4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 63360384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).