1-amino-2-methyl-1-sulfinatoiminopropane

C4H9N2O2S- — CID 173491222

IUPAC1-amino-2-methyl-1-sulfinatoiminopropane
SMILESCC(C)C(N)=NS(=O)[O-]
InChIInChI=1S/C4H10N2O2S/c1-3(2)4(5)6-9(7)8/h3H,1-2H3,(H2,5,6)(H,7,8)/p-1
InChIKeyWNYBZFPNKSVQNC-UHFFFAOYSA-M
MW149.19 g/mol
LogP-0.21
Rot. Bonds2

About 1-amino-2-methyl-1-sulfinatoiminopropane

1-amino-2-methyl-1-sulfinatoiminopropane (PubChem CID 173491222) has the molecular formula C4H9N2O2S- and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-amino-2-methyl-1-sulfinatoiminopropane.

Molecular Properties

Compound Name1-amino-2-methyl-1-sulfinatoiminopropane
PubChem CID173491222
Molecular FormulaC4H9N2O2S-
Molecular Weight149.19 g/mol
Exact Mass149.04
IUPAC Name1-amino-2-methyl-1-sulfinatoiminopropane
SMILESCC(C)C(N)=NS(=O)[O-]
InChIInChI=1S/C4H10N2O2S/c1-3(2)4(5)6-9(7)8/h3H,1-2H3,(H2,5,6)(H,7,8)/p-1
InChIKeyWNYBZFPNKSVQNC-UHFFFAOYSA-M
XLogP-0.21
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-1-sulfinatoiminopropane?
The IUPAC name of 1-amino-2-methyl-1-sulfinatoiminopropane (CID 173491222) is 1-amino-2-methyl-1-sulfinatoiminopropane.
What is the SMILES notation for 1-amino-2-methyl-1-sulfinatoiminopropane?
The canonical SMILES for 1-amino-2-methyl-1-sulfinatoiminopropane is CC(C)C(N)=NS(=O)[O-].
What is the InChIKey of 1-amino-2-methyl-1-sulfinatoiminopropane?
The InChIKey is WNYBZFPNKSVQNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O2S/c1-3(2)4(5)6-9(7)8/h3H,1-2H3,(H2,5,6)(H,7,8)/p-1.
What are the key properties of 1-amino-2-methyl-1-sulfinatoiminopropane?
1-amino-2-methyl-1-sulfinatoiminopropane has a molecular weight of 149.19 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-1-sulfinatoiminopropane is sourced from PubChem (CID 173491222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).