S-[(2R)-2-methylbutyl]thiohydroxylamine

C5H13NS — CID 166670432

IUPACS-[(2R)-2-methylbutyl]thiohydroxylamine
SMILESCC[C@@H](C)CSN
InChIInChI=1S/C5H13NS/c1-3-5(2)4-7-6/h5H,3-4,6H2,1-2H3/t5-/m1/s1
InChIKeyOBNCDXQUUYAMJG-RXMQYKEDSA-N
MW119.23 g/mol
LogP1.64
Rot. Bonds3

About S-[(2R)-2-methylbutyl]thiohydroxylamine

S-[(2R)-2-methylbutyl]thiohydroxylamine (PubChem CID 166670432) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is S-[(2R)-2-methylbutyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(2R)-2-methylbutyl]thiohydroxylamine
PubChem CID166670432
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC NameS-[(2R)-2-methylbutyl]thiohydroxylamine
SMILESCC[C@@H](C)CSN
InChIInChI=1S/C5H13NS/c1-3-5(2)4-7-6/h5H,3-4,6H2,1-2H3/t5-/m1/s1
InChIKeyOBNCDXQUUYAMJG-RXMQYKEDSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-[(2R)-2-methylbutyl]thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of S-[(2R)-2-methylbutyl]thiohydroxylamine?
The IUPAC name of S-[(2R)-2-methylbutyl]thiohydroxylamine (CID 166670432) is S-[(2R)-2-methylbutyl]thiohydroxylamine.
What is the SMILES notation for S-[(2R)-2-methylbutyl]thiohydroxylamine?
The canonical SMILES for S-[(2R)-2-methylbutyl]thiohydroxylamine is CC[C@@H](C)CSN.
What is the InChIKey of S-[(2R)-2-methylbutyl]thiohydroxylamine?
The InChIKey is OBNCDXQUUYAMJG-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NS/c1-3-5(2)4-7-6/h5H,3-4,6H2,1-2H3/t5-/m1/s1.
What are the key properties of S-[(2R)-2-methylbutyl]thiohydroxylamine?
S-[(2R)-2-methylbutyl]thiohydroxylamine has a molecular weight of 119.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2R)-2-methylbutyl]thiohydroxylamine is sourced from PubChem (CID 166670432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).