N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine

C11H15NOS — CID 131119922

IUPACN-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine
SMILESON=C1CCCCC1Cc1ccsc1
InChIInChI=1S/C11H15NOS/c13-12-11-4-2-1-3-10(11)7-9-5-6-14-8-9/h5-6,8,10,13H,1-4,7H2
InChIKeyIGAALRBLPBALAT-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.31
Rot. Bonds2

About N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine

N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine (PubChem CID 131119922) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine
PubChem CID131119922
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine
SMILESON=C1CCCCC1Cc1ccsc1
InChIInChI=1S/C11H15NOS/c13-12-11-4-2-1-3-10(11)7-9-5-6-14-8-9/h5-6,8,10,13H,1-4,7H2
InChIKeyIGAALRBLPBALAT-UHFFFAOYSA-N
XLogP3.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.31
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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Related Compounds

cyclohexanone;2-(thiophen-3-ylmethyl)azepane;7-(thiophen-3-ylmethyl)azepan-2-one;2-(thiophen-3-ylmethyl)cyclohexan-1-one;N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine;(2E)-2-(thiophen-3-ylmethylidene)cyclohexan-1-one
CID 158402432
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
N-(2-thiophen-3-ylethylidene)hydroxylamine
CID 87549626
N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81026994
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
N-methyl-1-[2-(thiophen-3-ylmethyl)cyclopentyl]methanamine
CID 81032845
trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol
CID 102731894
3-(thiophen-3-ylmethyl)pyrrolidine
CID 83682618
N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 103774160
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
4-cyclopentyl-1-thiophen-3-ylbutan-2-one
CID 61055455

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine?
The IUPAC name of N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine (CID 131119922) is N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine.
What is the SMILES notation for N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine?
The canonical SMILES for N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine is ON=C1CCCCC1Cc1ccsc1.
What is the InChIKey of N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine?
The InChIKey is IGAALRBLPBALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-12-11-4-2-1-3-10(11)7-9-5-6-14-8-9/h5-6,8,10,13H,1-4,7H2.
What are the key properties of N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine?
N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine has a molecular weight of 209.31 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophen-3-ylmethyl)cyclohexylidene]hydroxylamine is sourced from PubChem (CID 131119922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).