4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide

C12H20N2O3S — CID 43758356

IUPAC4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
SMILESCOCC(C)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-9(8-17-3)14-10(2)11-4-6-12(7-5-11)18(13,15)16/h4-7,9-10,14H,8H2,1-3H3,(H2,13,15,16)
InChIKeyQXEDYKJVHZIYSH-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.02
Rot. Bonds6

About 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide

4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 43758356) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID43758356
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
SMILESCOCC(C)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-9(8-17-3)14-10(2)11-4-6-12(7-5-11)18(13,15)16/h4-7,9-10,14H,8H2,1-3H3,(H2,13,15,16)
InChIKeyQXEDYKJVHZIYSH-UHFFFAOYSA-N
XLogP1.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide
CID 115898648
4-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzenesulfonamide
CID 104980890
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
1-methoxy-N-[1-(4-methyl-3-nitrophenyl)ethyl]propan-2-amine
CID 43200931

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide (CID 43758356) is 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide is COCC(C)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is QXEDYKJVHZIYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(8-17-3)14-10(2)11-4-6-12(7-5-11)18(13,15)16/h4-7,9-10,14H,8H2,1-3H3,(H2,13,15,16).
What are the key properties of 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide?
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43758356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).