2-aminopropane-1-sulfinic acid

C3H9NO2S — CID 122602407

IUPAC2-aminopropane-1-sulfinic acid
SMILESCC(N)CS(=O)O
InChIInChI=1S/C3H9NO2S/c1-3(4)2-7(5)6/h3H,2,4H2,1H3,(H,5,6)
InChIKeyKDISDLGVHMBZGW-UHFFFAOYSA-N
MW123.18 g/mol
LogP-0.44
Rot. Bonds2

About 2-aminopropane-1-sulfinic acid

2-aminopropane-1-sulfinic acid (PubChem CID 122602407) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is 2-aminopropane-1-sulfinic acid.

Molecular Properties

Compound Name2-aminopropane-1-sulfinic acid
PubChem CID122602407
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC Name2-aminopropane-1-sulfinic acid
SMILESCC(N)CS(=O)O
InChIInChI=1S/C3H9NO2S/c1-3(4)2-7(5)6/h3H,2,4H2,1H3,(H,5,6)
InChIKeyKDISDLGVHMBZGW-UHFFFAOYSA-N
XLogP-0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-0.44
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
Thiosulfuric acid (H2S2O3), S-(2-aminopropyl) ester
CID 200634
2-Amino-1-butanesulfonic acid
CID 222929
Homothiotaurine
CID 191044
(2r)-(3-Amino-2-fluoropropyl)sulphinic acid
CID 9964119
3-Amino-4-sulfanylbutane-1-sulfonic acid
CID 10013250
3-Amino-2-fluoropropane-1-sulfinic acid
CID 10313182
Sodium 3-aminopropane-1-sulfonic acid
CID 53429901
3-Aminopropanesulfonic acid sodium salt
CID 71431022

Frequently Asked Questions

What is the IUPAC name of 2-aminopropane-1-sulfinic acid?
The IUPAC name of 2-aminopropane-1-sulfinic acid (CID 122602407) is 2-aminopropane-1-sulfinic acid.
What is the SMILES notation for 2-aminopropane-1-sulfinic acid?
The canonical SMILES for 2-aminopropane-1-sulfinic acid is CC(N)CS(=O)O.
What is the InChIKey of 2-aminopropane-1-sulfinic acid?
The InChIKey is KDISDLGVHMBZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-3(4)2-7(5)6/h3H,2,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropane-1-sulfinic acid?
2-aminopropane-1-sulfinic acid has a molecular weight of 123.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropane-1-sulfinic acid is sourced from PubChem (CID 122602407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).