N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine

C13H22N2O2S — CID 110627926

IUPACN-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine
SMILESCCNS(=O)(=O)NCCCCc1ccc(C)cc1
InChIInChI=1S/C13H22N2O2S/c1-3-14-18(16,17)15-11-5-4-6-13-9-7-12(2)8-10-13/h7-10,14-15H,3-6,11H2,1-2H3
InChIKeyYFKAKQHLKGWWCC-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.76
Rot. Bonds8

About N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine

N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine (PubChem CID 110627926) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine
PubChem CID110627926
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine
SMILESCCNS(=O)(=O)NCCCCc1ccc(C)cc1
InChIInChI=1S/C13H22N2O2S/c1-3-14-18(16,17)15-11-5-4-6-13-9-7-12(2)8-10-13/h7-10,14-15H,3-6,11H2,1-2H3
InChIKeyYFKAKQHLKGWWCC-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
CID 110288710
N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine
CID 110627929
4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
CID 110628005
1-methyl-4-pentylbenzene;sulfuryl dichloride
CID 174918567
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663
methanesulfonic acid;1-methyl-4-[4-[2-(4-methylphenyl)ethyl]phenyl]benzene
CID 91314027
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
1-methyl-4-octylbenzene
CID 11052746
CID 70388398
CID 70388398
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
N-[4-(4-methylphenyl)butyl]-3-methylsulfonylpropanamide
CID 110627922

Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine?
The IUPAC name of N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine (CID 110627926) is N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine?
The canonical SMILES for N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine is CCNS(=O)(=O)NCCCCc1ccc(C)cc1.
What is the InChIKey of N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine?
The InChIKey is YFKAKQHLKGWWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-14-18(16,17)15-11-5-4-6-13-9-7-12(2)8-10-13/h7-10,14-15H,3-6,11H2,1-2H3.
What are the key properties of N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine?
N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine has a molecular weight of 270.40 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 110627926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).