2-aminobutane-1-sulfinic acid

C4H11NO2S — CID 123705794

IUPAC2-aminobutane-1-sulfinic acid
SMILESCCC(N)CS(=O)O
InChIInChI=1S/C4H11NO2S/c1-2-4(5)3-8(6)7/h4H,2-3,5H2,1H3,(H,6,7)
InChIKeyYRYDRYGQTSIJMX-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.05
Rot. Bonds3

About 2-aminobutane-1-sulfinic acid

2-aminobutane-1-sulfinic acid (PubChem CID 123705794) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 2-aminobutane-1-sulfinic acid.

Molecular Properties

Compound Name2-aminobutane-1-sulfinic acid
PubChem CID123705794
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name2-aminobutane-1-sulfinic acid
SMILESCCC(N)CS(=O)O
InChIInChI=1S/C4H11NO2S/c1-2-4(5)3-8(6)7/h4H,2-3,5H2,1H3,(H,6,7)
InChIKeyYRYDRYGQTSIJMX-UHFFFAOYSA-N
XLogP-0.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tramiprosate
CID 1646
Homohypotaurine
CID 193060
(3S)-3-Amino-4-sulfanylbutane-1-sulfonic acid
CID 10058237
2-Amino-1-propanesulfonic acid
CID 110955
1-Amino-1-butanesulfonic acid
CID 344577
4-Aminobutanesulfonic acid
CID 3014806
2-Amino-1-butanesulfonic acid
CID 222929
Homothiotaurine
CID 191044
3-Amino-4-sulfanylbutane-1-sulfonic acid
CID 10013250
1-Aminopropane-1-sulfonic acid
CID 351264
2-Aminohexanesulfonic acid
CID 11041341
Methyl-2-aminoethanesulfonic acid
CID 12093848

Frequently Asked Questions

What is the IUPAC name of 2-aminobutane-1-sulfinic acid?
The IUPAC name of 2-aminobutane-1-sulfinic acid (CID 123705794) is 2-aminobutane-1-sulfinic acid.
What is the SMILES notation for 2-aminobutane-1-sulfinic acid?
The canonical SMILES for 2-aminobutane-1-sulfinic acid is CCC(N)CS(=O)O.
What is the InChIKey of 2-aminobutane-1-sulfinic acid?
The InChIKey is YRYDRYGQTSIJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-2-4(5)3-8(6)7/h4H,2-3,5H2,1H3,(H,6,7).
What are the key properties of 2-aminobutane-1-sulfinic acid?
2-aminobutane-1-sulfinic acid has a molecular weight of 137.20 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutane-1-sulfinic acid is sourced from PubChem (CID 123705794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).