N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C12H19NO3S — CID 80708286

IUPACN-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-11(2)16-10-9-13(3)17(14,15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyUYLWRZJRBZLURK-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.73
Rot. Bonds6

About N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 80708286) has the molecular formula C12H19NO3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID80708286
Molecular FormulaC12H19NO3S
Molecular Weight257.36 g/mol
Exact Mass257.11
IUPAC NameN-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-11(2)16-10-9-13(3)17(14,15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyUYLWRZJRBZLURK-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791714
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247
3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81057059
4-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81059115
2-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzoic acid
CID 81059803
4-(2-aminoethoxy)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064529
3-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenecarbothioamide
CID 81056059
N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067996
3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81068355
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
2-amino-N,3,6-trimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 103171665
2-propan-2-yloxyethyl benzenesulfonate
CID 141202169

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 80708286) is N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CC(C)OCCN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is UYLWRZJRBZLURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-11(2)16-10-9-13(3)17(14,15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 80708286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).