(NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine

C7H9NOS2 — CID 6863242

IUPAC(NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine
SMILESCSc1sc(C)cc1/C=N/O
InChIInChI=1S/C7H9NOS2/c1-5-3-6(4-8-9)7(10-2)11-5/h3-4,9H,1-2H3/b8-4+
InChIKeyKCCLPFMBYNECMY-XBXARRHUSA-N
MW187.29 g/mol
LogP2.59
Rot. Bonds2

About (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine

(NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine (PubChem CID 6863242) has the molecular formula C7H9NOS2 and a molecular weight of 187.29 g/mol. Its IUPAC name is (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine
PubChem CID6863242
Molecular FormulaC7H9NOS2
Molecular Weight187.29 g/mol
Exact Mass187.01
IUPAC Name(NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine
SMILESCSc1sc(C)cc1/C=N/O
InChIInChI=1S/C7H9NOS2/c1-5-3-6(4-8-9)7(10-2)11-5/h3-4,9H,1-2H3/b8-4+
InChIKeyKCCLPFMBYNECMY-XBXARRHUSA-N
XLogP2.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine (CID 6863242) is (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine is CSc1sc(C)cc1/C=N/O.
What is the InChIKey of (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine?
The InChIKey is KCCLPFMBYNECMY-XBXARRHUSA-N. The full InChI is InChI=1S/C7H9NOS2/c1-5-3-6(4-8-9)7(10-2)11-5/h3-4,9H,1-2H3/b8-4+.
What are the key properties of (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine?
(NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine has a molecular weight of 187.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-methyl-2-methylsulfanylthiophen-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6863242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).