N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide

C13H22N2O2S — CID 63733152

IUPACN-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCC(C)N)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-10(2)12-5-7-13(8-6-12)18(16,17)15-9-11(3)14/h5-8,10-11,15H,4,9,14H2,1-3H3
InChIKeyQLWCZBAUVWXFTK-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.83
Rot. Bonds6

About N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide

N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide (PubChem CID 63733152) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
PubChem CID63733152
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCC(C)N)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-10(2)12-5-7-13(8-6-12)18(16,17)15-9-11(3)14/h5-8,10-11,15H,4,9,14H2,1-3H3
InChIKeyQLWCZBAUVWXFTK-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
CID 115301404
N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
CID 63733559
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
CID 2566445
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971
4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide
CID 82715696

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide (CID 63733152) is N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NCC(C)N)cc1.
What is the InChIKey of N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide?
The InChIKey is QLWCZBAUVWXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-10(2)12-5-7-13(8-6-12)18(16,17)15-9-11(3)14/h5-8,10-11,15H,4,9,14H2,1-3H3.
What are the key properties of N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide?
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63733152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).