N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine

C13H15NOS2 — CID 10683132

IUPACN-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine
SMILESCCc1ccsc1C(=NO)c1sccc1CC
InChIInChI=1S/C13H15NOS2/c1-3-9-5-7-16-12(9)11(14-15)13-10(4-2)6-8-17-13/h5-8,15H,3-4H2,1-2H3
InChIKeyZGBNYOXKEMCOSJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.16
Rot. Bonds4

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

N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine (PubChem CID 10683132) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine
PubChem CID10683132
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC NameN-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine
SMILESCCc1ccsc1C(=NO)c1sccc1CC
InChIInChI=1S/C13H15NOS2/c1-3-9-5-7-16-12(9)11(14-15)13-10(4-2)6-8-17-13/h5-8,15H,3-4H2,1-2H3
InChIKeyZGBNYOXKEMCOSJ-UHFFFAOYSA-N
XLogP4.16
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.16
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'}

Analyze N-[bis(3-ethylthiophen-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

Related Compounds

ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
1-(3-ethylthiophen-2-yl)-2-methoxyethanone
CID 115783314
cyclopentyl-(3-ethylthiophen-2-yl)methanone
CID 114962290
1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114969994
N-(3-amino-3-hydroxyiminopropyl)-3-ethyl-N-propan-2-ylthiophene-2-carboxamide
CID 79975897
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766
1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one
CID 114962833
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide
CID 114008198
1-(3-ethylthiophen-2-yl)pent-4-yn-1-one
CID 114972763
(3-ethylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
CID 130509688
2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65217931

Frequently Asked Questions

What is the IUPAC name of N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine (CID 10683132) is N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine is CCc1ccsc1C(=NO)c1sccc1CC.
What is the InChIKey of N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is ZGBNYOXKEMCOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-3-9-5-7-16-12(9)11(14-15)13-10(4-2)6-8-17-13/h5-8,15H,3-4H2,1-2H3.
What are the key properties of N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine?
N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 265.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 10683132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).