1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide

C15H24N2O3S — CID 63823532

IUPAC1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)NCCOC2CCCCC2)c1
InChIInChI=1S/C15H24N2O3S/c16-14-6-4-5-13(11-14)12-21(18,19)17-9-10-20-15-7-2-1-3-8-15/h4-6,11,15,17H,1-3,7-10,12,16H2
InChIKeyBNEBRUFXZWHQTP-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.04
Rot. Bonds7

About 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide

1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide (PubChem CID 63823532) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
PubChem CID63823532
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)NCCOC2CCCCC2)c1
InChIInChI=1S/C15H24N2O3S/c16-14-6-4-5-13(11-14)12-21(18,19)17-9-10-20-15-7-2-1-3-8-15/h4-6,11,15,17H,1-3,7-10,12,16H2
InChIKeyBNEBRUFXZWHQTP-UHFFFAOYSA-N
XLogP2.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63824243
3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
CID 63826208
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
1-(3-aminophenyl)-N-(3-ethoxypropyl)methanesulfonamide
CID 43256176
1-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
CID 63825144
1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
CID 62975336
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
CID 63823533
4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63824064
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide (CID 63823532) is 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide is Nc1cccc(CS(=O)(=O)NCCOC2CCCCC2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide?
The InChIKey is BNEBRUFXZWHQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c16-14-6-4-5-13(11-14)12-21(18,19)17-9-10-20-15-7-2-1-3-8-15/h4-6,11,15,17H,1-3,7-10,12,16H2.
What are the key properties of 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide?
1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide is sourced from PubChem (CID 63823532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).