N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide

C13H20N2O3S — CID 130245476

IUPACN-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(c2ccc(N)cc2)COC1
InChIInChI=1S/C13H20N2O3S/c1-12(2,3)19(16,17)15-13(8-18-9-13)10-4-6-11(14)7-5-10/h4-7,15H,8-9,14H2,1-3H3
InChIKeyLFTYXZJYDYOWBR-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.21
Rot. Bonds3

About N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide

N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide (PubChem CID 130245476) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide
PubChem CID130245476
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(c2ccc(N)cc2)COC1
InChIInChI=1S/C13H20N2O3S/c1-12(2,3)19(16,17)15-13(8-18-9-13)10-4-6-11(14)7-5-10/h4-7,15H,8-9,14H2,1-3H3
InChIKeyLFTYXZJYDYOWBR-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide (CID 130245476) is N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1(c2ccc(N)cc2)COC1.
What is the InChIKey of N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is LFTYXZJYDYOWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-12(2,3)19(16,17)15-13(8-18-9-13)10-4-6-11(14)7-5-10/h4-7,15H,8-9,14H2,1-3H3.
What are the key properties of N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide?
N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 130245476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).