N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide

C14H22N2O3S — CID 120582635

IUPACN-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCc1ccc(S(=O)(=O)NCC(N)C2CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-19-9-8-11-2-6-13(7-3-11)20(17,18)16-10-14(15)12-4-5-12/h2-3,6-7,12,14,16H,4-5,8-10,15H2,1H3
InChIKeyZTYDJNOQSZMEOA-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.89
Rot. Bonds8

About N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide (PubChem CID 120582635) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
PubChem CID120582635
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCc1ccc(S(=O)(=O)NCC(N)C2CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-19-9-8-11-2-6-13(7-3-11)20(17,18)16-10-14(15)12-4-5-12/h2-3,6-7,12,14,16H,4-5,8-10,15H2,1H3
InChIKeyZTYDJNOQSZMEOA-UHFFFAOYSA-N
XLogP0.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
CID 115301404
N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119972659
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
CID 99625428
methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride
CID 120582901
4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide
CID 113475179
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 120713286
4-(3-aminopropyl)-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 106050722

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide (CID 120582635) is N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide is COCCc1ccc(S(=O)(=O)NCC(N)C2CC2)cc1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is ZTYDJNOQSZMEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-9-8-11-2-6-13(7-3-11)20(17,18)16-10-14(15)12-4-5-12/h2-3,6-7,12,14,16H,4-5,8-10,15H2,1H3.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.89, 8 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-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 120582635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).