N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine

C9H13NOS — CID 76625873

IUPACN-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(C=NO)s1
InChIInChI=1S/C9H13NOS/c1-9(2,3)8-5-4-7(12-8)6-10-11/h4-6,11H,1-3H3
InChIKeySSGWOXPBYRWTFP-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.85
Rot. Bonds1

About N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine

N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine (PubChem CID 76625873) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine
PubChem CID76625873
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(C=NO)s1
InChIInChI=1S/C9H13NOS/c1-9(2,3)8-5-4-7(12-8)6-10-11/h4-6,11H,1-3H3
InChIKeySSGWOXPBYRWTFP-UHFFFAOYSA-N
XLogP2.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.85
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'}

Analyze N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine (CID 76625873) is N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine is CC(C)(C)c1ccc(C=NO)s1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is SSGWOXPBYRWTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2,3)8-5-4-7(12-8)6-10-11/h4-6,11H,1-3H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine?
N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 183.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 76625873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).