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

C8H11NO2S — CID 177399008

IUPAC(NE)-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+
InChIKeyPOXCNGPMCZRZSO-RMKNXTFCSA-N
MW185.25 g/mol
LogP1.77
Rot. Bonds3

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

(NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide (PubChem CID 177399008) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide
PubChem CID177399008
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(NE)-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+
InChIKeyPOXCNGPMCZRZSO-RMKNXTFCSA-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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Related Compounds

(NE)-N-(furan-2-ylmethylidene)benzenesulfinamide
CID 177456242
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
1-(furan-2-yl)-N-[(E)-prop-1-enyl]methanimine
CID 13128411
N-[2,6-di(propan-2-yl)phenyl]-1-(furan-2-yl)methanimine
CID 850160
(E)-1-(furan-2-yl)-N-[(Z)-1-trimethylsilyloxyprop-1-enyl]methanimine
CID 135039350
tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
CID 45091867
1-(furan-2-yl)-N-[(2S)-1-phenylpropan-2-yl]methanimine
CID 10465809
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
ethane;1-(furan-2-yl)-N-phenylmethanimine
CID 160534475
furan-2-carbaldehyde
CID 76972982
CID 171377962
CID 171377962

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide?
The IUPAC name of (NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide (CID 177399008) is (NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide?
The canonical SMILES for (NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide is CC(C)S(=O)/N=C/c1ccco1.
What is the InChIKey of (NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide?
The InChIKey is POXCNGPMCZRZSO-RMKNXTFCSA-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+.
What are the key properties of (NE)-N-(furan-2-ylmethylidene)propane-2-sulfinamide?
(NE)-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)-N-(furan-2-ylmethylidene)propane-2-sulfinamide is sourced from PubChem (CID 177399008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).