4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide

C12H20N2O3S — CID 64574284

IUPAC4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide
SMILESCCC(C)(N)COc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-12(2,13)9-17-10-5-7-11(8-6-10)18(15,16)14-3/h5-8,14H,4,9,13H2,1-3H3
InChIKeyHUAPVIVKAWEJQZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.10
Rot. Bonds6

About 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide

4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide (PubChem CID 64574284) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide
PubChem CID64574284
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide
SMILESCCC(C)(N)COc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-12(2,13)9-17-10-5-7-11(8-6-10)18(15,16)14-3/h5-8,14H,4,9,13H2,1-3H3
InChIKeyHUAPVIVKAWEJQZ-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide
CID 64574697
4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide
CID 84692052
4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide
CID 166287676
1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 971008
CID 59436624
CID 59436624
N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide
CID 119989827
N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119988125
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
4-(2-amino-2-methylbutoxy)-2-methylbenzamide
CID 81276903
N-[3-(aminomethyl)pentan-3-yl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119981453
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide (CID 64574284) is 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide is CCC(C)(N)COc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide?
The InChIKey is HUAPVIVKAWEJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-12(2,13)9-17-10-5-7-11(8-6-10)18(15,16)14-3/h5-8,14H,4,9,13H2,1-3H3.
What are the key properties of 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide?
4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 64574284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).