4-amino-3-methylbutane-1-sulfinic acid

C5H13NO2S — CID 129313207

IUPAC4-amino-3-methylbutane-1-sulfinic acid
SMILESCC(CN)CCS(=O)O
InChIInChI=1S/C5H13NO2S/c1-5(4-6)2-3-9(7)8/h5H,2-4,6H2,1H3,(H,7,8)
InChIKeyWMTUJIYKQKJBDM-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.19
Rot. Bonds4

About 4-amino-3-methylbutane-1-sulfinic acid

4-amino-3-methylbutane-1-sulfinic acid (PubChem CID 129313207) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 4-amino-3-methylbutane-1-sulfinic acid.

Molecular Properties

Compound Name4-amino-3-methylbutane-1-sulfinic acid
PubChem CID129313207
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name4-amino-3-methylbutane-1-sulfinic acid
SMILESCC(CN)CCS(=O)O
InChIInChI=1S/C5H13NO2S/c1-5(4-6)2-3-9(7)8/h5H,2-4,6H2,1H3,(H,7,8)
InChIKeyWMTUJIYKQKJBDM-UHFFFAOYSA-N
XLogP0.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylbutane-1-sulfinic acid?
The IUPAC name of 4-amino-3-methylbutane-1-sulfinic acid (CID 129313207) is 4-amino-3-methylbutane-1-sulfinic acid.
What is the SMILES notation for 4-amino-3-methylbutane-1-sulfinic acid?
The canonical SMILES for 4-amino-3-methylbutane-1-sulfinic acid is CC(CN)CCS(=O)O.
What is the InChIKey of 4-amino-3-methylbutane-1-sulfinic acid?
The InChIKey is WMTUJIYKQKJBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(4-6)2-3-9(7)8/h5H,2-4,6H2,1H3,(H,7,8).
What are the key properties of 4-amino-3-methylbutane-1-sulfinic acid?
4-amino-3-methylbutane-1-sulfinic acid has a molecular weight of 151.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylbutane-1-sulfinic acid is sourced from PubChem (CID 129313207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).