(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide

C9H16N2O2S — CID 129387650

IUPAC(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cocn1
InChIInChI=1S/C9H16N2O2S/c1-7(8-5-13-6-10-8)11-14(12)9(2,3)4/h5-7,11H,1-4H3/t7-,14-/m1/s1
InChIKeyZBCQAUGPRHJSIQ-NXSYQRQQSA-N
MW216.31 g/mol
LogP1.79
Rot. Bonds3

About (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide (PubChem CID 129387650) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide
PubChem CID129387650
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cocn1
InChIInChI=1S/C9H16N2O2S/c1-7(8-5-13-6-10-8)11-14(12)9(2,3)4/h5-7,11H,1-4H3/t7-,14-/m1/s1
InChIKeyZBCQAUGPRHJSIQ-NXSYQRQQSA-N
XLogP1.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide (CID 129387650) is (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cocn1.
What is the InChIKey of (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide?
The InChIKey is ZBCQAUGPRHJSIQ-NXSYQRQQSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7(8-5-13-6-10-8)11-14(12)9(2,3)4/h5-7,11H,1-4H3/t7-,14-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide has a molecular weight of 216.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 129387650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).