(NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide

C8H11NO2S — CID 134998719

IUPAC(NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)[S@](=O)/N=C/c1ccco1
InChIInChI=1S/C8H11NO2S/c1-7(2)12(10)9-6-8-4-3-5-11-8/h3-7H,1-2H3/b9-6+/t12-/m0/s1
InChIKeyPOXCNGPMCZRZSO-LZGFCCKTSA-N
MW185.25 g/mol
LogP1.77
Rot. Bonds3

About (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide

(NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide (PubChem CID 134998719) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide
PubChem CID134998719
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide
SMILESCC(C)[S@](=O)/N=C/c1ccco1
InChIInChI=1S/C8H11NO2S/c1-7(2)12(10)9-6-8-4-3-5-11-8/h3-7H,1-2H3/b9-6+/t12-/m0/s1
InChIKeyPOXCNGPMCZRZSO-LZGFCCKTSA-N
XLogP1.77
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide?
The IUPAC name of (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide (CID 134998719) is (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide is CC(C)[S@](=O)/N=C/c1ccco1.
What is the InChIKey of (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide?
The InChIKey is POXCNGPMCZRZSO-LZGFCCKTSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-7(2)12(10)9-6-8-4-3-5-11-8/h3-7H,1-2H3/b9-6+/t12-/m0/s1.
What are the key properties of (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide?
(NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide has a molecular weight of 185.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-(furan-2-ylmethylidene)propane-2-sulfinamide is sourced from PubChem (CID 134998719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).