N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide

C15H24N2O2S — CID 115301404

IUPACN-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCC(N)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11(2)12-6-8-14(9-7-12)20(18,19)17-10-15(16)13-4-5-13/h6-9,11,13,15,17H,3-5,10,16H2,1-2H3
InChIKeyDPDPFFXUOYLTGC-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.22
Rot. Bonds7

About N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide (PubChem CID 115301404) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
PubChem CID115301404
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCC(N)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11(2)12-6-8-14(9-7-12)20(18,19)17-10-15(16)13-4-5-13/h6-9,11,13,15,17H,3-5,10,16H2,1-2H3
InChIKeyDPDPFFXUOYLTGC-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
CID 99625428
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
CID 120582635
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
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-piperidin-4-ylbenzenesulfonamide
CID 43603241
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride
CID 120582901

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide (CID 115301404) is N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NCC(N)C2CC2)cc1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide?
The InChIKey is DPDPFFXUOYLTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-11(2)12-6-8-14(9-7-12)20(18,19)17-10-15(16)13-4-5-13/h6-9,11,13,15,17H,3-5,10,16H2,1-2H3.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 115301404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).