N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine

C5H5Cl2NOS — CID 131048910

IUPACN-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
SMILESONCc1cc(Cl)sc1Cl
InChIInChI=1S/C5H5Cl2NOS/c6-4-1-3(2-8-9)5(7)10-4/h1,8-9H,2H2
InChIKeyKAEHMSUIFILNKQ-UHFFFAOYSA-N
MW198.07 g/mol
LogP2.53
Rot. Bonds2

About N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine

N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine (PubChem CID 131048910) has the molecular formula C5H5Cl2NOS and a molecular weight of 198.07 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
PubChem CID131048910
Molecular FormulaC5H5Cl2NOS
Molecular Weight198.07 g/mol
Exact Mass196.95
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
SMILESONCc1cc(Cl)sc1Cl
InChIInChI=1S/C5H5Cl2NOS/c6-4-1-3(2-8-9)5(7)10-4/h1,8-9H,2H2
InChIKeyKAEHMSUIFILNKQ-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.07
LogP ≤ 52.53
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-dichlorothiophen-3-yl)methylhydrazine;hydrochloride
CID 154577383
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
CID 130682625
2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
CID 107961535
2-bromo-N-[(2,5-dichlorothiophen-3-yl)methyl]acetamide
CID 130671918
N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine
CID 107961487
(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride
CID 71757986
N-[(2,5-dichlorothiophen-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 107961596
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 107961532
2,5-dichlorothiophen-3-ol
CID 71437780
4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium
CID 6929577
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973815
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973813

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine (CID 131048910) is N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine is ONCc1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine?
The InChIKey is KAEHMSUIFILNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NOS/c6-4-1-3(2-8-9)5(7)10-4/h1,8-9H,2H2.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine?
N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine has a molecular weight of 198.07 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 131048910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).