N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide

C14H21N3O2S — CID 75430809

IUPACN-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C14H21N3O2S/c1-3-14(16,4-2)11-17-20(18,19)13-7-5-12(6-8-13)9-10-15/h5-8,17H,3-4,9,11,16H2,1-2H3
InChIKeyIJULITZUSXAWCU-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.55
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide

N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide (PubChem CID 75430809) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide
PubChem CID75430809
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C14H21N3O2S/c1-3-14(16,4-2)11-17-20(18,19)13-7-5-12(6-8-13)9-10-15/h5-8,17H,3-4,9,11,16H2,1-2H3
InChIKeyIJULITZUSXAWCU-UHFFFAOYSA-N
XLogP1.55
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(cyanomethyl)benzenesulfonamide
CID 113282753
N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide
CID 119990095
4-(cyanomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 103721139
N-butyl-4-(cyanomethyl)benzenesulfonamide
CID 79186452
ethyl 3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoate
CID 79196212
4-(cyanomethyl)-N-hexylbenzenesulfonamide
CID 79195889
4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 103721070
N-(2-amino-3-methylbutyl)-4-(cyanomethyl)benzenesulfonamide
CID 79196541
4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide
CID 106442148
4-(cyanomethyl)-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 79195635
N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
CID 99627369
2-[[4-(cyanomethyl)phenyl]sulfonylamino]-N-ethylacetamide
CID 79184919

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide (CID 75430809) is N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide is CCC(N)(CC)CNS(=O)(=O)c1ccc(CC#N)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide?
The InChIKey is IJULITZUSXAWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-14(16,4-2)11-17-20(18,19)13-7-5-12(6-8-13)9-10-15/h5-8,17H,3-4,9,11,16H2,1-2H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide?
N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide is sourced from PubChem (CID 75430809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).