1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide

C14H24N2O2S — CID 115324575

IUPAC1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)5-3-4-10-16-19(17,18)11-13-6-8-14(15)9-7-13/h6-9,12,16H,3-5,10-11,15H2,1-2H3
InChIKeyBUNAIMVVTNXWTQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.51
Rot. Bonds8

About 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide

1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide (PubChem CID 115324575) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
PubChem CID115324575
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)5-3-4-10-16-19(17,18)11-13-6-8-14(15)9-7-13/h6-9,12,16H,3-5,10-11,15H2,1-2H3
InChIKeyBUNAIMVVTNXWTQ-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide
CID 63003353
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324613
4-(4-methylpentylsulfamoylmethyl)benzenecarbothioamide
CID 63004382
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
4-[2-(5-methylhexylamino)ethyl]aniline
CID 115326174
N-(5-methylhexyl)ethanesulfonamide
CID 79002950
4-[3-(7-methyloctylamino)propyl]aniline
CID 107815674
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523
ethyl 4-[(4-aminophenyl)methylsulfonylamino]butanoate
CID 64575379
1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
CID 65037107
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide (CID 115324575) is 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide is CC(C)CCCCNS(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide?
The InChIKey is BUNAIMVVTNXWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(2)5-3-4-10-16-19(17,18)11-13-6-8-14(15)9-7-13/h6-9,12,16H,3-5,10-11,15H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide?
1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide is sourced from PubChem (CID 115324575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).