N-ethyl-N-(3-methylbutyl)thiohydroxylamine

C7H17NS — CID 143038149

IUPACN-ethyl-N-(3-methylbutyl)thiohydroxylamine
SMILESCCN(S)CCC(C)C
InChIInChI=1S/C7H17NS/c1-4-8(9)6-5-7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyDIVQNRHOPBBWII-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.20
Rot. Bonds4

About N-ethyl-N-(3-methylbutyl)thiohydroxylamine

N-ethyl-N-(3-methylbutyl)thiohydroxylamine (PubChem CID 143038149) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N-ethyl-N-(3-methylbutyl)thiohydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylbutyl)thiohydroxylamine
PubChem CID143038149
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN-ethyl-N-(3-methylbutyl)thiohydroxylamine
SMILESCCN(S)CCC(C)C
InChIInChI=1S/C7H17NS/c1-4-8(9)6-5-7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyDIVQNRHOPBBWII-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-N-(3-methylbutyl)thiohydroxylamine?
The IUPAC name of N-ethyl-N-(3-methylbutyl)thiohydroxylamine (CID 143038149) is N-ethyl-N-(3-methylbutyl)thiohydroxylamine.
What is the SMILES notation for N-ethyl-N-(3-methylbutyl)thiohydroxylamine?
The canonical SMILES for N-ethyl-N-(3-methylbutyl)thiohydroxylamine is CCN(S)CCC(C)C.
What is the InChIKey of N-ethyl-N-(3-methylbutyl)thiohydroxylamine?
The InChIKey is DIVQNRHOPBBWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-8(9)6-5-7(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylbutyl)thiohydroxylamine?
N-ethyl-N-(3-methylbutyl)thiohydroxylamine has a molecular weight of 147.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylbutyl)thiohydroxylamine is sourced from PubChem (CID 143038149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).