2-methyl-2-(sulfinatoamino)propane

C4H10NO2S- — CID 22273184

IUPAC2-methyl-2-(sulfinatoamino)propane
SMILESCC(C)(C)NS(=O)[O-]
InChIInChI=1S/C4H11NO2S/c1-4(2,3)5-8(6)7/h5H,1-3H3,(H,6,7)/p-1
InChIKeyUBPBEBDSIKABDN-UHFFFAOYSA-M
MW136.20 g/mol
LogP0.17
Rot. Bonds1

About 2-methyl-2-(sulfinatoamino)propane

2-methyl-2-(sulfinatoamino)propane (PubChem CID 22273184) has the molecular formula C4H10NO2S- and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-2-(sulfinatoamino)propane.

Molecular Properties

Compound Name2-methyl-2-(sulfinatoamino)propane
PubChem CID22273184
Molecular FormulaC4H10NO2S-
Molecular Weight136.20 g/mol
Exact Mass136.04
IUPAC Name2-methyl-2-(sulfinatoamino)propane
SMILESCC(C)(C)NS(=O)[O-]
InChIInChI=1S/C4H11NO2S/c1-4(2,3)5-8(6)7/h5H,1-3H3,(H,6,7)/p-1
InChIKeyUBPBEBDSIKABDN-UHFFFAOYSA-M
XLogP0.17
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(sulfinatoamino)propane 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?
The IUPAC name of 2-methyl-2-(sulfinatoamino)propane (CID 22273184) is 2-methyl-2-(sulfinatoamino)propane.
What is the SMILES notation for 2-methyl-2-(sulfinatoamino)propane?
The canonical SMILES for 2-methyl-2-(sulfinatoamino)propane is CC(C)(C)NS(=O)[O-].
What is the InChIKey of 2-methyl-2-(sulfinatoamino)propane?
The InChIKey is UBPBEBDSIKABDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO2S/c1-4(2,3)5-8(6)7/h5H,1-3H3,(H,6,7)/p-1.
What are the key properties of 2-methyl-2-(sulfinatoamino)propane?
2-methyl-2-(sulfinatoamino)propane has a molecular weight of 136.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(sulfinatoamino)propane is sourced from PubChem (CID 22273184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).