2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide

C11H19N3O3S — CID 114212293

IUPAC2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide
SMILESCOCCC(CN)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H19N3O3S/c1-17-7-6-9(8-12)14-10-4-2-3-5-11(10)18(13,15)16/h2-5,9,14H,6-8,12H2,1H3,(H2,13,15,16)
InChIKeyFTGDDEZCXOMHCO-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.11
Rot. Bonds7

About 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide

2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide (PubChem CID 114212293) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide
PubChem CID114212293
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide
SMILESCOCCC(CN)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H19N3O3S/c1-17-7-6-9(8-12)14-10-4-2-3-5-11(10)18(13,15)16/h2-5,9,14H,6-8,12H2,1H3,(H2,13,15,16)
InChIKeyFTGDDEZCXOMHCO-UHFFFAOYSA-N
XLogP0.11
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminohexan-2-ylamino)benzenesulfonamide
CID 80698405
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
2-(2,3-dimethoxypropylamino)benzenesulfonamide
CID 114100732
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
2-(1-cyclopropylethylamino)benzenesulfonamide
CID 43533533
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
CID 63260686
2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol
CID 106186517
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089
2-N-(2-methoxyphenyl)pentane-1,2-diamine
CID 65385480
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide (CID 114212293) is 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide is COCCC(CN)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide?
The InChIKey is FTGDDEZCXOMHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-17-7-6-9(8-12)14-10-4-2-3-5-11(10)18(13,15)16/h2-5,9,14H,6-8,12H2,1H3,(H2,13,15,16).
What are the key properties of 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide?
2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 114212293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).