2-[(S)-methylsulfinyl]ethylazanium

C3H10NOS+ — CID 11888496

IUPAC2-[(S)-methylsulfinyl]ethylazanium
SMILESC[S@](=O)CC[NH3+]
InChIInChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3/p+1/t6-/m0/s1
InChIKeyPGAOVVJJOXMLCQ-LURJTMIESA-O
MW108.19 g/mol
LogP-1.39
Rot. Bonds2

About 2-[(S)-methylsulfinyl]ethylazanium

2-[(S)-methylsulfinyl]ethylazanium (PubChem CID 11888496) has the molecular formula C3H10NOS+ and a molecular weight of 108.19 g/mol. Its IUPAC name is 2-[(S)-methylsulfinyl]ethylazanium.

Molecular Properties

Compound Name2-[(S)-methylsulfinyl]ethylazanium
PubChem CID11888496
Molecular FormulaC3H10NOS+
Molecular Weight108.19 g/mol
Exact Mass108.05
IUPAC Name2-[(S)-methylsulfinyl]ethylazanium
SMILESC[S@](=O)CC[NH3+]
InChIInChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3/p+1/t6-/m0/s1
InChIKeyPGAOVVJJOXMLCQ-LURJTMIESA-O
XLogP-1.39
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
3,4-dimethyl-2-(2-methylsulfinylethyl)-1H-pyrrole
CID 67762785
2-methylsulfinylacetaldehyde
CID 20530132
N,N-diethyl-2-methylsulfinylethanamine
CID 123113037
CID 173053941
CID 173053941
2-(2-methylsulfinylethylamino)ethanesulfonamide
CID 114385199
methylsulfinylmethane
CID 21183497
9-methylsulfinylnonyl thiocyanate
CID 141341789
1,3-dimethyl-1-(2-methylsulfinylethyl)urea
CID 131227779
1-(2-methylsulfinylethyl)piperidine
CID 66695248
1-(2-chloroethylsulfanyl)-2-methylsulfinylethane
CID 127017144

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-methylsulfinyl]ethylazanium?
The IUPAC name of 2-[(S)-methylsulfinyl]ethylazanium (CID 11888496) is 2-[(S)-methylsulfinyl]ethylazanium.
What is the SMILES notation for 2-[(S)-methylsulfinyl]ethylazanium?
The canonical SMILES for 2-[(S)-methylsulfinyl]ethylazanium is C[S@](=O)CC[NH3+].
What is the InChIKey of 2-[(S)-methylsulfinyl]ethylazanium?
The InChIKey is PGAOVVJJOXMLCQ-LURJTMIESA-O. The full InChI is InChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3/p+1/t6-/m0/s1.
What are the key properties of 2-[(S)-methylsulfinyl]ethylazanium?
2-[(S)-methylsulfinyl]ethylazanium has a molecular weight of 108.19 g/mol, XLogP of -1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-methylsulfinyl]ethylazanium is sourced from PubChem (CID 11888496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).