tert-butylsulfinylazanium

C4H12NOS+ — CID 58516118

IUPACtert-butylsulfinylazanium
SMILESCC(C)(C)S([NH3+])=O
InChIInChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/p+1
InChIKeyCESUXLKAADQNTB-UHFFFAOYSA-O
MW122.21 g/mol
LogP-0.31
Rot. Bonds

About tert-butylsulfinylazanium

tert-butylsulfinylazanium (PubChem CID 58516118) has the molecular formula C4H12NOS+ and a molecular weight of 122.21 g/mol. Its IUPAC name is tert-butylsulfinylazanium.

Molecular Properties

Compound Nametert-butylsulfinylazanium
PubChem CID58516118
Molecular FormulaC4H12NOS+
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Nametert-butylsulfinylazanium
SMILESCC(C)(C)S([NH3+])=O
InChIInChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/p+1
InChIKeyCESUXLKAADQNTB-UHFFFAOYSA-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

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Related Compounds

Tert-Butanesulfinamide
CID 3382465
tert-Butylsulfinamide, (R)-(+)-
CID 10964479
tert-Butylsulfinamide, (S)-(-)-
CID 11355477
Tert-butyl(imino)methyl-lambda6-sulfanone
CID 21045363
2-Methylpropane-1-sulfinamide
CID 21959854
(R)-2-Methylbutane-2-sulfinamide
CID 53487354
tert-Butylsulfonamide
CID 2757335
t-Butylsulfonimidoyl fluoride
CID 169174365
Butane-1-sulfinamide
CID 12456453
Butylsulfoximide
CID 22762435
2-Methylbutane-2-sulfinamide
CID 76045584
t-Butylsulfinylimine
CID 123757712

Frequently Asked Questions

What is the IUPAC name of tert-butylsulfinylazanium?
The IUPAC name of tert-butylsulfinylazanium (CID 58516118) is tert-butylsulfinylazanium.
What is the SMILES notation for tert-butylsulfinylazanium?
The canonical SMILES for tert-butylsulfinylazanium is CC(C)(C)S([NH3+])=O.
What is the InChIKey of tert-butylsulfinylazanium?
The InChIKey is CESUXLKAADQNTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/p+1.
What are the key properties of tert-butylsulfinylazanium?
tert-butylsulfinylazanium 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 tert-butylsulfinylazanium is sourced from PubChem (CID 58516118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).