N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine

C7H11NOS — CID 82686078

IUPACN-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
SMILESCCc1ccc(CNO)s1
InChIInChI=1S/C7H11NOS/c1-2-6-3-4-7(10-6)5-8-9/h3-4,8-9H,2,5H2,1H3
InChIKeyOKXCBKRVSSYQOF-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.79
Rot. Bonds3

About N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine

N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine (PubChem CID 82686078) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
PubChem CID82686078
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
SMILESCCc1ccc(CNO)s1
InChIInChI=1S/C7H11NOS/c1-2-6-3-4-7(10-6)5-8-9/h3-4,8-9H,2,5H2,1H3
InChIKeyOKXCBKRVSSYQOF-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethylthiophene
CID 521294
2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 65312373
(5-ethylthiophen-2-yl)methylcyanamide
CID 106011012
2-ethyl-2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 103880567
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
CID 83194211
1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111953365
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
CID 61469407
N-[(5-ethylthiophen-2-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 115281522
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine (CID 82686078) is N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine is CCc1ccc(CNO)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine?
The InChIKey is OKXCBKRVSSYQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-2-6-3-4-7(10-6)5-8-9/h3-4,8-9H,2,5H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine?
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine has a molecular weight of 157.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 82686078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).