N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine

C6H7NOS — CID 2797001

IUPACN-[(3-methylthiophen-2-yl)methylidene]hydroxylamine
SMILESCc1ccsc1C=NO
InChIInChI=1S/C6H7NOS/c1-5-2-3-9-6(5)4-7-8/h2-4,8H,1H3
InChIKeyZZGCONMEXMLKLV-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.86
Rot. Bonds1

About N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine

N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine (PubChem CID 2797001) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methylidene]hydroxylamine
PubChem CID2797001
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC NameN-[(3-methylthiophen-2-yl)methylidene]hydroxylamine
SMILESCc1ccsc1C=NO
InChIInChI=1S/C6H7NOS/c1-5-2-3-9-6(5)4-7-8/h2-4,8H,1H3
InChIKeyZZGCONMEXMLKLV-UHFFFAOYSA-N
XLogP1.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine (CID 2797001) is N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine is Cc1ccsc1C=NO.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is ZZGCONMEXMLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-5-2-3-9-6(5)4-7-8/h2-4,8H,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine?
N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 141.19 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 2797001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).