tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate

C15H24N2O4S — CID 10496531

IUPACtert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-10(2)13(14(18)21-15(3,4)5)17-22(19,20)12-8-6-11(16)7-9-12/h6-10,13,17H,16H2,1-5H3/t13-/m1/s1
InChIKeyJHFAMPSIHYGYFB-CYBMUJFWSA-N
MW328.43 g/mol
LogP1.91
Rot. Bonds5

About tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate

tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate (PubChem CID 10496531) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate
PubChem CID10496531
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nametert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-10(2)13(14(18)21-15(3,4)5)17-22(19,20)12-8-6-11(16)7-9-12/h6-10,13,17H,16H2,1-5H3/t13-/m1/s1
InChIKeyJHFAMPSIHYGYFB-CYBMUJFWSA-N
XLogP1.91
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[[4-(4-aminophenyl)phenyl]sulfonylamino]-3-methylbutanoate
CID 10525284
tert-butyl 2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 54389295
tert-butyl 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoate
CID 70212133
tert-butyl (2S)-2-[(4-cyanophenyl)sulfonylamino]-3-methylbutanoate
CID 59460580
tert-butyl (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 81003022
tert-butyl (2S)-3-methyl-2-[[7-(methylamino)dibenzothiophen-3-yl]sulfonylamino]butanoate
CID 68877307
tert-butyl (2S)-2-[[2-(aminomethyl)phenyl]sulfonylamino]-3-methylbutanoate
CID 59461671
tert-butyl (2R)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoate
CID 12042322
tert-butyl (2R)-3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 104710385
tert-butyl 3-methyl-2-[[4-(4-quinolin-2-yloxyphenyl)phenyl]sulfonylamino]butanoate
CID 67110179
tert-butyl 2-[(4-aminophenyl)sulfonylamino]acetate
CID 22456387
methyl 4-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoate
CID 40855028

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate (CID 10496531) is tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate is CC(C)[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate?
The InChIKey is JHFAMPSIHYGYFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-10(2)13(14(18)21-15(3,4)5)17-22(19,20)12-8-6-11(16)7-9-12/h6-10,13,17H,16H2,1-5H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate?
tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate has a molecular weight of 328.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate is sourced from PubChem (CID 10496531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).