(NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide

C10H15NO2S — CID 87338803

IUPAC(NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide
SMILESCc1ccc(/C=N/S(=O)C(C)(C)C)o1
InChIInChI=1S/C10H15NO2S/c1-8-5-6-9(13-8)7-11-14(12)10(2,3)4/h5-7H,1-4H3/b11-7+
InChIKeyLDNLXIFHJUENIY-YRNVUSSQSA-N
MW213.30 g/mol
LogP2.47
Rot. Bonds2

About (NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide

(NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide (PubChem CID 87338803) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide
PubChem CID87338803
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide
SMILESCc1ccc(/C=N/S(=O)C(C)(C)C)o1
InChIInChI=1S/C10H15NO2S/c1-8-5-6-9(13-8)7-11-14(12)10(2,3)4/h5-7H,1-4H3/b11-7+
InChIKeyLDNLXIFHJUENIY-YRNVUSSQSA-N
XLogP2.47
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.47
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)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide (CID 87338803) is (NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide is Cc1ccc(/C=N/S(=O)C(C)(C)C)o1.
What is the InChIKey of (NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide?
The InChIKey is LDNLXIFHJUENIY-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8-5-6-9(13-8)7-11-14(12)10(2,3)4/h5-7H,1-4H3/b11-7+.
What are the key properties of (NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide?
(NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide has a molecular weight of 213.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-[(5-methylfuran-2-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 87338803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).