N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine

C6H15NOS2 — CID 89419803

IUPACN-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine
SMILESCN(S)CCCCS(C)=O
InChIInChI=1S/C6H15NOS2/c1-7(9)5-3-4-6-10(2)8/h9H,3-6H2,1-2H3
InChIKeyAVIJURYAVWZQSB-UHFFFAOYSA-N
MW181.33 g/mol
LogP0.92
Rot. Bonds5

About N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine

N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine (PubChem CID 89419803) has the molecular formula C6H15NOS2 and a molecular weight of 181.33 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine
PubChem CID89419803
Molecular FormulaC6H15NOS2
Molecular Weight181.33 g/mol
Exact Mass181.06
IUPAC NameN-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine
SMILESCN(S)CCCCS(C)=O
InChIInChI=1S/C6H15NOS2/c1-7(9)5-3-4-6-10(2)8/h9H,3-6H2,1-2H3
InChIKeyAVIJURYAVWZQSB-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(4-methylsulfinylbutyl)thiourea
CID 87793767
2-[methyl(sulfanyl)amino]ethanesulfinic acid
CID 123921217
1-methylsulfinylpentadecane
CID 15553502
1-[methyl(2-methylsulfinylethyl)amino]propan-2-one
CID 126702352
4-methylsulfinylbutylcarbamodithioic acid
CID 126668836
N,N-diethyl-2-methylsulfinylethanamine
CID 123113037
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
CID 167101459
1-azido-4-methylsulfinylbutane
CID 71313591
2,2-dimethyl-5-methylsulfinylpentanenitrile
CID 65263343
1,3-dimethyl-1-(2-methylsulfinylethyl)urea
CID 131227779
9-methylsulfinylnonyl thiocyanate
CID 141341789
CID 173053941
CID 173053941

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine?
The IUPAC name of N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine (CID 89419803) is N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine.
What is the SMILES notation for N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine?
The canonical SMILES for N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine is CN(S)CCCCS(C)=O.
What is the InChIKey of N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine?
The InChIKey is AVIJURYAVWZQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS2/c1-7(9)5-3-4-6-10(2)8/h9H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine?
N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine has a molecular weight of 181.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfinylbutyl)thiohydroxylamine is sourced from PubChem (CID 89419803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).