N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide

C13H22N2O2S — CID 104873238

IUPACN-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)N[C@H](C)CN)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-10(2)12-5-7-13(8-6-12)18(16,17)15-11(3)9-14/h5-8,10-11,15H,4,9,14H2,1-3H3/t10?,11-/m1/s1
InChIKeyYXGXKADKGOJNMZ-RRKGBCIJSA-N
MW270.40 g/mol
LogP1.83
Rot. Bonds6

About N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide

N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide (PubChem CID 104873238) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
PubChem CID104873238
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)N[C@H](C)CN)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-10(2)12-5-7-13(8-6-12)18(16,17)15-11(3)9-14/h5-8,10-11,15H,4,9,14H2,1-3H3/t10?,11-/m1/s1
InChIKeyYXGXKADKGOJNMZ-RRKGBCIJSA-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

4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79009568
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide (CID 104873238) is N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)N[C@H](C)CN)cc1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide?
The InChIKey is YXGXKADKGOJNMZ-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-10(2)12-5-7-13(8-6-12)18(16,17)15-11(3)9-14/h5-8,10-11,15H,4,9,14H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide?
N-[(2R)-1-aminopropan-2-yl]-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-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 104873238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).