(NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide

C9H17NOS — CID 55273175

IUPAC(NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide
SMILESCC/C=C/C=N/S(=O)C(C)(C)C
InChIInChI=1S/C9H17NOS/c1-5-6-7-8-10-12(11)9(2,3)4/h6-8H,5H2,1-4H3/b7-6+,10-8+
InChIKeyWKGKVGPFVFJNAK-LQPGMRSMSA-N
MW187.31 g/mol
LogP2.49
Rot. Bonds3

About (NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide

(NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide (PubChem CID 55273175) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is (NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide
PubChem CID55273175
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name(NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide
SMILESCC/C=C/C=N/S(=O)C(C)(C)C
InChIInChI=1S/C9H17NOS/c1-5-6-7-8-10-12(11)9(2,3)4/h6-8H,5H2,1-4H3/b7-6+,10-8+
InChIKeyWKGKVGPFVFJNAK-LQPGMRSMSA-N
XLogP2.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(E)-pent-2-enylidene]propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide (CID 55273175) is (NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide is CC/C=C/C=N/S(=O)C(C)(C)C.
What is the InChIKey of (NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide?
The InChIKey is WKGKVGPFVFJNAK-LQPGMRSMSA-N. The full InChI is InChI=1S/C9H17NOS/c1-5-6-7-8-10-12(11)9(2,3)4/h6-8H,5H2,1-4H3/b7-6+,10-8+.
What are the key properties of (NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide?
(NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide has a molecular weight of 187.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-[(E)-pent-2-enylidene]propane-2-sulfinamide is sourced from PubChem (CID 55273175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).