N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide

C15H24N2O3S — CID 79592400

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C15H24N2O3S/c1-12(2)20-9-10-21(18,19)17(15-7-8-15)11-13-3-5-14(16)6-4-13/h3-6,12,15H,7-11,16H2,1-2H3
InChIKeyZIRZLYPDCMXUPT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.99
Rot. Bonds8

About N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide

N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide (PubChem CID 79592400) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide
PubChem CID79592400
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C15H24N2O3S/c1-12(2)20-9-10-21(18,19)17(15-7-8-15)11-13-3-5-14(16)6-4-13/h3-6,12,15H,7-11,16H2,1-2H3
InChIKeyZIRZLYPDCMXUPT-UHFFFAOYSA-N
XLogP1.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide (CID 79592400) is N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is ZIRZLYPDCMXUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)20-9-10-21(18,19)17(15-7-8-15)11-13-3-5-14(16)6-4-13/h3-6,12,15H,7-11,16H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide?
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79592400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).