N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide

C14H24N2O2S — CID 63857119

IUPACN-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)C(C)c1cccc(N)c1
InChIInChI=1S/C14H24N2O2S/c1-11(2)8-9-19(17,18)16(4)12(3)13-6-5-7-14(15)10-13/h5-7,10-12H,8-9,15H2,1-4H3
InChIKeyXTERJUIAOKWGMG-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.64
Rot. Bonds6

About N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide

N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide (PubChem CID 63857119) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
PubChem CID63857119
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)C(C)c1cccc(N)c1
InChIInChI=1S/C14H24N2O2S/c1-11(2)8-9-19(17,18)16(4)12(3)13-6-5-7-14(15)10-13/h5-7,10-12H,8-9,15H2,1-4H3
InChIKeyXTERJUIAOKWGMG-UHFFFAOYSA-N
XLogP2.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600
N-[1-(3-aminophenyl)ethyl]-2-bromo-N-methylbenzenesulfonamide
CID 43550366
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
CID 63857517
3-[1-[2,4-dimethylpentyl(methyl)amino]ethyl]aniline
CID 114200282
3-[1-[methyl(2-methylbutyl)amino]ethyl]aniline
CID 61262568
1-amino-3-[1-(dimethylsulfamoylamino)ethyl]benzene
CID 43297979
N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298569
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62983881
2-(3-aminophenyl)sulfanyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethanesulfonamide
CID 115985256
3-(4-methylpentan-2-yl)aniline
CID 15215881
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61140353

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide (CID 63857119) is N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C)C(C)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide?
The InChIKey is XTERJUIAOKWGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)8-9-19(17,18)16(4)12(3)13-6-5-7-14(15)10-13/h5-7,10-12H,8-9,15H2,1-4H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide?
N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 63857119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).