2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

C11H18N2O3S — CID 61116591

IUPAC2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O3S/c1-9(8-16-3)13(2)17(14,15)11-7-5-4-6-10(11)12/h4-7,9H,8,12H2,1-3H3
InChIKeyVCHSXUZRLGFILR-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.92
Rot. Bonds5

About 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 61116591) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID61116591
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O3S/c1-9(8-16-3)13(2)17(14,15)11-7-5-4-6-10(11)12/h4-7,9H,8,12H2,1-3H3
InChIKeyVCHSXUZRLGFILR-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
CID 43272487
2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 54947074
3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 81471352
2-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455868
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
methyl 3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoate
CID 61115645
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide
CID 61114136
3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 107406071
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61114511
4-(1-aminoethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61452492
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
CID 61449915

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (CID 61116591) is 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is COCC(C)N(C)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is VCHSXUZRLGFILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9(8-16-3)13(2)17(14,15)11-7-5-4-6-10(11)12/h4-7,9H,8,12H2,1-3H3.
What are the key properties of 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61116591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).