N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide

C10H17BrN2O2S — CID 66727467

IUPACN-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1cc(Br)no1
InChIInChI=1S/C10H17BrN2O2S/c1-5-7(8-6-9(11)12-15-8)13-16(14)10(2,3)4/h6-7,13H,5H2,1-4H3/t7-,16?/m0/s1
InChIKeyFVBURCMLMKIPNZ-RWNHWRGESA-N
MW309.23 g/mol
LogP2.94
Rot. Bonds4

About N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 66727467) has the molecular formula C10H17BrN2O2S and a molecular weight of 309.23 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID66727467
Molecular FormulaC10H17BrN2O2S
Molecular Weight309.23 g/mol
Exact Mass308.02
IUPAC NameN-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1cc(Br)no1
InChIInChI=1S/C10H17BrN2O2S/c1-5-7(8-6-9(11)12-15-8)13-16(14)10(2,3)4/h6-7,13H,5H2,1-4H3/t7-,16?/m0/s1
InChIKeyFVBURCMLMKIPNZ-RWNHWRGESA-N
XLogP2.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide (CID 66727467) is N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide is CC[C@H](NS(=O)C(C)(C)C)c1cc(Br)no1.
What is the InChIKey of N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is FVBURCMLMKIPNZ-RWNHWRGESA-N. The full InChI is InChI=1S/C10H17BrN2O2S/c1-5-7(8-6-9(11)12-15-8)13-16(14)10(2,3)4/h6-7,13H,5H2,1-4H3/t7-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 309.23 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 66727467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).