1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide

C14H24N2O2S — CID 63003353

IUPAC1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide
SMILESCC(C)CCCNS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)4-3-9-16-19(17,18)11-14-7-5-13(10-15)6-8-14/h5-8,12,16H,3-4,9-11,15H2,1-2H3
InChIKeyKZPMQVJGJQLAGJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.00
Rot. Bonds8

About 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide (PubChem CID 63003353) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide
PubChem CID63003353
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide
SMILESCC(C)CCCNS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)4-3-9-16-19(17,18)11-14-7-5-13(10-15)6-8-14/h5-8,12,16H,3-4,9-11,15H2,1-2H3
InChIKeyKZPMQVJGJQLAGJ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
CID 115324575
4-(4-methylpentylsulfamoylmethyl)benzenecarbothioamide
CID 63004382
1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
1-[4-(aminomethyl)phenyl]-N-(5,5,5-trifluoropentyl)methanesulfonamide
CID 115517870
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543
5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327519
N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63834583
2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide
CID 43310560
1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide
CID 106079683
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(5-methylhexyl)ethanesulfonamide
CID 79002950

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide (CID 63003353) is 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide is CC(C)CCCNS(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide?
The InChIKey is KZPMQVJGJQLAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(2)4-3-9-16-19(17,18)11-14-7-5-13(10-15)6-8-14/h5-8,12,16H,3-4,9-11,15H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide is sourced from PubChem (CID 63003353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).