N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine

C8H10ClNOS — CID 117292277

IUPACN-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine
SMILESCSc1ccc(Cl)c(CNO)c1
InChIInChI=1S/C8H10ClNOS/c1-12-7-2-3-8(9)6(4-7)5-10-11/h2-4,10-11H,5H2,1H3
InChIKeyJPVQVROALXYBSC-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.54
Rot. Bonds3

About N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine

N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine (PubChem CID 117292277) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine
PubChem CID117292277
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC NameN-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine
SMILESCSc1ccc(Cl)c(CNO)c1
InChIInChI=1S/C8H10ClNOS/c1-12-7-2-3-8(9)6(4-7)5-10-11/h2-4,10-11H,5H2,1H3
InChIKeyJPVQVROALXYBSC-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.54
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

3-(2-chloro-5-methylsulfanylphenyl)propanal
CID 117306128
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390
4-[(2-chloro-5-methylsulfanylphenyl)methyl]piperidine
CID 117393123
1-[2-(3,4-dichlorophenoxy)-5-methylsulfanylphenyl]-N-methylmethanamine
CID 10131454
1-(2-chloro-4-methylsulfanylphenyl)propan-2-one
CID 130894787
1-[(2-chloro-5-methylsulfanylphenyl)methyl]-4,4-difluoropiperidine
CID 123216144
3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117281678
2-[(2-chloro-5-methylsulfanylphenyl)methyl]piperidine
CID 117393114
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281709
2-(hydroxymethyl)-4-methylsulfanylphenol
CID 11789642
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine (CID 117292277) is N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine is CSc1ccc(Cl)c(CNO)c1.
What is the InChIKey of N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine?
The InChIKey is JPVQVROALXYBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-12-7-2-3-8(9)6(4-7)5-10-11/h2-4,10-11H,5H2,1H3.
What are the key properties of N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine?
N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine has a molecular weight of 203.69 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117292277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).