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

C13H20N2O2S — CID 58345210

IUPACN-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ccc(N)cc2)COC1
InChIInChI=1S/C13H20N2O2S/c1-12(2,3)18(16)15-13(8-17-9-13)10-4-6-11(14)7-5-10/h4-7,15H,8-9,14H2,1-3H3
InChIKeyAQGBAXCTFWKZCV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.55
Rot. Bonds3

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

N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 58345210) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID58345210
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(c2ccc(N)cc2)COC1
InChIInChI=1S/C13H20N2O2S/c1-12(2,3)18(16)15-13(8-17-9-13)10-4-6-11(14)7-5-10/h4-7,15H,8-9,14H2,1-3H3
InChIKeyAQGBAXCTFWKZCV-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-sulfinamide?
The IUPAC name of N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide (CID 58345210) is N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1(c2ccc(N)cc2)COC1.
What is the InChIKey of N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is AQGBAXCTFWKZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-12(2,3)18(16)15-13(8-17-9-13)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-sulfinamide?
N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 268.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 58345210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).