N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide

C13H22N2O2S — CID 113282766

IUPACN-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCC(C)(C)N)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-11(12-7-5-4-6-8-12)9-18(16,17)15-10-13(2,3)14/h4-8,11,15H,9-10,14H2,1-3H3
InChIKeyGPRFVMFDKVDHFQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.45
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide

N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide (PubChem CID 113282766) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
PubChem CID113282766
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCC(C)(C)N)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-11(12-7-5-4-6-8-12)9-18(16,17)15-10-13(2,3)14/h4-8,11,15H,9-10,14H2,1-3H3
InChIKeyGPRFVMFDKVDHFQ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide
CID 106145736
2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine
CID 68807261
N-(2-bromo-4,4-dimethylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158108
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686091
N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
CID 113496582

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide (CID 113282766) is N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NCC(C)(C)N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is GPRFVMFDKVDHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-11(12-7-5-4-6-8-12)9-18(16,17)15-10-13(2,3)14/h4-8,11,15H,9-10,14H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide?
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113282766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).