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

C18H28N4O4S2 — CID 159172334

IUPAC(S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide
SMILESCc1nocc1C=N[S@@](=O)C(C)(C)C.Cc1nocc1C=N[S@](=O)C(C)(C)C
InChIInChI=1S/2C9H14N2O2S/c2*1-7-8(6-13-11-7)5-10-14(12)9(2,3)4/h2*5-6H,1-4H3/t2*14-/m10/s1
InChIKeyKLVRNXLFPKMZMC-IKFJUQJOSA-N
MW428.58 g/mol
LogP3.73
Rot. Bonds4

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

(S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide (PubChem CID 159172334) has the molecular formula C18H28N4O4S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide
PubChem CID159172334
Molecular FormulaC18H28N4O4S2
Molecular Weight428.58 g/mol
Exact Mass428.16
IUPAC Name(S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide
SMILESCc1nocc1C=N[S@@](=O)C(C)(C)C.Cc1nocc1C=N[S@](=O)C(C)(C)C
InChIInChI=1S/2C9H14N2O2S/c2*1-7-8(6-13-11-7)5-10-14(12)9(2,3)4/h2*5-6H,1-4H3/t2*14-/m10/s1
InChIKeyKLVRNXLFPKMZMC-IKFJUQJOSA-N
XLogP3.73
TPSA110.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide (CID 159172334) is (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide is Cc1nocc1C=N[S@@](=O)C(C)(C)C.Cc1nocc1C=N[S@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide?
The InChIKey is KLVRNXLFPKMZMC-IKFJUQJOSA-N. The full InChI is InChI=1S/2C9H14N2O2S/c2*1-7-8(6-13-11-7)5-10-14(12)9(2,3)4/h2*5-6H,1-4H3/t2*14-/m10/s1.
What are the key properties of (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide?
(S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide has a molecular weight of 428.58 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide;(R)-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 159172334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).