N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide

C15H22N2O3S — CID 68754025

IUPACN-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2(NS(=O)C(C)(C)C)COC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-11(18)16-13-7-5-12(6-8-13)15(9-20-10-15)17-21(19)14(2,3)4/h5-8,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyRTOZUPPUKJONLF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.92
Rot. Bonds4

About N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide

N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide (PubChem CID 68754025) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide
PubChem CID68754025
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2(NS(=O)C(C)(C)C)COC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-11(18)16-13-7-5-12(6-8-13)15(9-20-10-15)17-21(19)14(2,3)4/h5-8,17H,9-10H2,1-4H3,(H,16,18)
InChIKeyRTOZUPPUKJONLF-UHFFFAOYSA-N
XLogP1.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide (CID 68754025) is N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2(NS(=O)C(C)(C)C)COC2)cc1.
What is the InChIKey of N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide?
The InChIKey is RTOZUPPUKJONLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(18)16-13-7-5-12(6-8-13)15(9-20-10-15)17-21(19)14(2,3)4/h5-8,17H,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide?
N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(tert-butylsulfinylamino)oxetan-3-yl]phenyl]acetamide is sourced from PubChem (CID 68754025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).