N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide

C15H24N2O4S — CID 119986985

IUPACN-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
SMILESCCOCCOc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H24N2O4S/c1-2-20-9-10-21-13-5-7-14(8-6-13)22(18,19)17-15(11-16)12-3-4-12/h5-8,12,15,17H,2-4,9-11,16H2,1H3
InChIKeyFECOLKWDUXWJSJ-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.12
Rot. Bonds10

About N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide (PubChem CID 119986985) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
PubChem CID119986985
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
SMILESCCOCCOc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H24N2O4S/c1-2-20-9-10-21-13-5-7-14(8-6-13)22(18,19)17-15(11-16)12-3-4-12/h5-8,12,15,17H,2-4,9-11,16H2,1H3
InChIKeyFECOLKWDUXWJSJ-UHFFFAOYSA-N
XLogP1.12
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 65188769
N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119983396
(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide
CID 94799409
N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide
CID 120710791
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-[2-(aminomethyl)cyclopentyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
CID 119985886
N-[3-(aminomethyl)pentan-3-yl]-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119981483
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride
CID 119986545
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide (CID 119986985) is N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide is CCOCCOc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide?
The InChIKey is FECOLKWDUXWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-2-20-9-10-21-13-5-7-14(8-6-13)22(18,19)17-15(11-16)12-3-4-12/h5-8,12,15,17H,2-4,9-11,16H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 119986985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).