N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide

C13H20N2O3S — CID 115301370

IUPACN-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(N)C2CC2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-9-7-11(5-6-13(9)18-2)19(16,17)15-8-12(14)10-3-4-10/h5-7,10,12,15H,3-4,8,14H2,1-2H3
InChIKeyBRRKNBYCPXKCIR-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.02
Rot. Bonds6

About N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 115301370) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID115301370
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(N)C2CC2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-9-7-11(5-6-13(9)18-2)19(16,17)15-8-12(14)10-3-4-10/h5-7,10,12,15H,3-4,8,14H2,1-2H3
InChIKeyBRRKNBYCPXKCIR-UHFFFAOYSA-N
XLogP1.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-methoxyphenyl]methyl]propanamide
CID 120582674
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
N-(2-amino-2-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713290
(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 95981916
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
2-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222500
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
CID 120582635
N-(2-amino-2-cyclopropylethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 115301303

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide (CID 115301370) is N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(N)C2CC2)cc1C.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is BRRKNBYCPXKCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-7-11(5-6-13(9)18-2)19(16,17)15-8-12(14)10-3-4-10/h5-7,10,12,15H,3-4,8,14H2,1-2H3.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 284.38 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 N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 115301370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).