N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide

C12H20N2O2S — CID 112516561

IUPACN-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)N(CCN)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-3-11(2)14(10-9-13)17(15,16)12-7-5-4-6-8-12/h4-8,11H,3,9-10,13H2,1-2H3
InChIKeyQDBMACADPFSAFK-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.43
Rot. Bonds6

About N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide

N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide (PubChem CID 112516561) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
PubChem CID112516561
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)N(CCN)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-3-11(2)14(10-9-13)17(15,16)12-7-5-4-6-8-12/h4-8,11H,3,9-10,13H2,1-2H3
InChIKeyQDBMACADPFSAFK-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-4-chloro-N-[(3R)-3-phenylbutyl]benzenesulfonamide
CID 124567549
N-[(2R)-butan-2-yl]-4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 67367150
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 63764894
N-(4-aminobutan-2-yl)-N-methylbenzenesulfonamide
CID 63225180
N-(2-aminoethyl)-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 55243728
N-butan-2-yl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 112517569
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide
CID 113220115
4-(bromomethyl)-N-butan-2-yl-N-butylbenzenesulfonamide
CID 65480214
4-[butan-2-yl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791315
ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
CID 54135692
N,N-dipropylbenzenesulfonamide
CID 4053954

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide (CID 112516561) is N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide is CCC(C)N(CCN)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide?
The InChIKey is QDBMACADPFSAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-11(2)14(10-9-13)17(15,16)12-7-5-4-6-8-12/h4-8,11H,3,9-10,13H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide?
N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 112516561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).