[(R)-tert-butylsulfinyl]azanium

C4H12NOS+ — CID 134864963

IUPAC[(R)-tert-butylsulfinyl]azanium
SMILESCC(C)(C)[S@]([NH3+])=O
InChIInChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/p+1/t7-/m1/s1
InChIKeyCESUXLKAADQNTB-SSDOTTSWSA-O
MW122.21 g/mol
LogP-0.31
Rot. Bonds

About [(R)-tert-butylsulfinyl]azanium

[(R)-tert-butylsulfinyl]azanium (PubChem CID 134864963) has the molecular formula C4H12NOS+ and a molecular weight of 122.21 g/mol. Its IUPAC name is [(R)-tert-butylsulfinyl]azanium.

Molecular Properties

Compound Name[(R)-tert-butylsulfinyl]azanium
PubChem CID134864963
Molecular FormulaC4H12NOS+
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Name[(R)-tert-butylsulfinyl]azanium
SMILESCC(C)(C)[S@]([NH3+])=O
InChIInChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/p+1/t7-/m1/s1
InChIKeyCESUXLKAADQNTB-SSDOTTSWSA-O
XLogP-0.31
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(R)-tert-butylsulfinyl]azanium 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 [(R)-tert-butylsulfinyl]azanium?
The IUPAC name of [(R)-tert-butylsulfinyl]azanium (CID 134864963) is [(R)-tert-butylsulfinyl]azanium.
What is the SMILES notation for [(R)-tert-butylsulfinyl]azanium?
The canonical SMILES for [(R)-tert-butylsulfinyl]azanium is CC(C)(C)[S@]([NH3+])=O.
What is the InChIKey of [(R)-tert-butylsulfinyl]azanium?
The InChIKey is CESUXLKAADQNTB-SSDOTTSWSA-O. The full InChI is InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/p+1/t7-/m1/s1.
What are the key properties of [(R)-tert-butylsulfinyl]azanium?
[(R)-tert-butylsulfinyl]azanium has a molecular weight of 122.21 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-tert-butylsulfinyl]azanium is sourced from PubChem (CID 134864963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).