2-methyl-2-(sulfinatoamino)propane;propan-1-amine

C7H19N2O2S- — CID 159735673

IUPAC2-methyl-2-(sulfinatoamino)propane;propan-1-amine
SMILESCC(C)(C)NS(=O)[O-].CCCN
InChIInChI=1S/C4H11NO2S.C3H9N/c1-4(2,3)5-8(6)7;1-2-3-4/h5H,1-3H3,(H,6,7);2-4H2,1H3/p-1
InChIKeyCLEDNAPFFYDTAU-UHFFFAOYSA-M
MW195.31 g/mol
LogP0.52
Rot. Bonds2

About 2-methyl-2-(sulfinatoamino)propane;propan-1-amine

2-methyl-2-(sulfinatoamino)propane;propan-1-amine (PubChem CID 159735673) has the molecular formula C7H19N2O2S- and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-2-(sulfinatoamino)propane;propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(sulfinatoamino)propane;propan-1-amine
PubChem CID159735673
Molecular FormulaC7H19N2O2S-
Molecular Weight195.31 g/mol
Exact Mass195.12
IUPAC Name2-methyl-2-(sulfinatoamino)propane;propan-1-amine
SMILESCC(C)(C)NS(=O)[O-].CCCN
InChIInChI=1S/C4H11NO2S.C3H9N/c1-4(2,3)5-8(6)7;1-2-3-4/h5H,1-3H3,(H,6,7);2-4H2,1H3/p-1
InChIKeyCLEDNAPFFYDTAU-UHFFFAOYSA-M
XLogP0.52
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(sulfinatoamino)propane;propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(sulfinatoamino)propane;propan-1-amine?
The IUPAC name of 2-methyl-2-(sulfinatoamino)propane;propan-1-amine (CID 159735673) is 2-methyl-2-(sulfinatoamino)propane;propan-1-amine.
What is the SMILES notation for 2-methyl-2-(sulfinatoamino)propane;propan-1-amine?
The canonical SMILES for 2-methyl-2-(sulfinatoamino)propane;propan-1-amine is CC(C)(C)NS(=O)[O-].CCCN.
What is the InChIKey of 2-methyl-2-(sulfinatoamino)propane;propan-1-amine?
The InChIKey is CLEDNAPFFYDTAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO2S.C3H9N/c1-4(2,3)5-8(6)7;1-2-3-4/h5H,1-3H3,(H,6,7);2-4H2,1H3/p-1.
What are the key properties of 2-methyl-2-(sulfinatoamino)propane;propan-1-amine?
2-methyl-2-(sulfinatoamino)propane;propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(sulfinatoamino)propane;propan-1-amine is sourced from PubChem (CID 159735673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).