O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine

C10H15NOS2 — CID 117331169

IUPACO-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine
SMILESCSc1ccc(CCON)c(SC)c1
InChIInChI=1S/C10H15NOS2/c1-13-9-4-3-8(5-6-12-11)10(7-9)14-2/h3-4,7H,5-6,11H2,1-2H3
InChIKeyOVLVACVQVUDFGQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.56
Rot. Bonds5

About O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine

O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine (PubChem CID 117331169) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine
PubChem CID117331169
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC NameO-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine
SMILESCSc1ccc(CCON)c(SC)c1
InChIInChI=1S/C10H15NOS2/c1-13-9-4-3-8(5-6-12-11)10(7-9)14-2/h3-4,7H,5-6,11H2,1-2H3
InChIKeyOVLVACVQVUDFGQ-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512
[2,4-bis(methylsulfanyl)phenyl]methanol
CID 54501035
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504
4-[[2,4-bis(methylsulfanyl)phenyl]methyl]piperidine
CID 117422419
1-[2,4-bis(methylsulfanyl)phenyl]-3-bromopropan-2-one
CID 166641936
O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine
CID 117288802
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
1-[[2,4-bis(methylsulfanyl)phenyl]methyl]piperazine
CID 117424931
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
(2-methyl-4-methylsulfanylphenyl)methanamine
CID 63814506
O-[2-(3-methylsulfanyl-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117407913
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281

Frequently Asked Questions

What is the IUPAC name of O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine (CID 117331169) is O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine is CSc1ccc(CCON)c(SC)c1.
What is the InChIKey of O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine?
The InChIKey is OVLVACVQVUDFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-13-9-4-3-8(5-6-12-11)10(7-9)14-2/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine?
O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine has a molecular weight of 229.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2,4-bis(methylsulfanyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117331169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).