N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine

C7H18N2S — CID 123703570

IUPACN-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine
SMILESCCN(C)C(C)CN(C)S
InChIInChI=1S/C7H18N2S/c1-5-8(3)7(2)6-9(4)10/h7,10H,5-6H2,1-4H3
InChIKeyRJOJSKZEDCCSGK-UHFFFAOYSA-N
MW162.30 g/mol
LogP1.10
Rot. Bonds4

About N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine

N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine (PubChem CID 123703570) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine
PubChem CID123703570
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC NameN-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine
SMILESCCN(C)C(C)CN(C)S
InChIInChI=1S/C7H18N2S/c1-5-8(3)7(2)6-9(4)10/h7,10H,5-6H2,1-4H3
InChIKeyRJOJSKZEDCCSGK-UHFFFAOYSA-N
XLogP1.10
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine?
The IUPAC name of N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine (CID 123703570) is N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine?
The canonical SMILES for N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine is CCN(C)C(C)CN(C)S.
What is the InChIKey of N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine?
The InChIKey is RJOJSKZEDCCSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-5-8(3)7(2)6-9(4)10/h7,10H,5-6H2,1-4H3.
What are the key properties of N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine?
N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine has a molecular weight of 162.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]propyl]-N-methylthiohydroxylamine is sourced from PubChem (CID 123703570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).