S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine

C6H15NS — CID 163728660

IUPACS-[(2R)-2,3-dimethylbutyl]thiohydroxylamine
SMILESCC(C)[C@@H](C)CSN
InChIInChI=1S/C6H15NS/c1-5(2)6(3)4-8-7/h5-6H,4,7H2,1-3H3/t6-/m0/s1
InChIKeyKXSUOQRCYHKCLA-LURJTMIESA-N
MW133.26 g/mol
LogP1.89
Rot. Bonds3

About S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine

S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine (PubChem CID 163728660) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(2R)-2,3-dimethylbutyl]thiohydroxylamine
PubChem CID163728660
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC NameS-[(2R)-2,3-dimethylbutyl]thiohydroxylamine
SMILESCC(C)[C@@H](C)CSN
InChIInChI=1S/C6H15NS/c1-5(2)6(3)4-8-7/h5-6H,4,7H2,1-3H3/t6-/m0/s1
InChIKeyKXSUOQRCYHKCLA-LURJTMIESA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.89
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)-2,3-dimethylbutyl]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)-2,3-dimethylbutyl]thiohydroxylamine?
The IUPAC name of S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine (CID 163728660) is S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine.
What is the SMILES notation for S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine?
The canonical SMILES for S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine is CC(C)[C@@H](C)CSN.
What is the InChIKey of S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine?
The InChIKey is KXSUOQRCYHKCLA-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NS/c1-5(2)6(3)4-8-7/h5-6H,4,7H2,1-3H3/t6-/m0/s1.
What are the key properties of S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine?
S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine has a molecular weight of 133.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2R)-2,3-dimethylbutyl]thiohydroxylamine is sourced from PubChem (CID 163728660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).