2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane

C5H10NO3S- — CID 91801668

IUPAC2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane
SMILESCC(C)C(=O)N(C)S(=O)[O-]
InChIInChI=1S/C5H11NO3S/c1-4(2)5(7)6(3)10(8)9/h4H,1-3H3,(H,8,9)/p-1
InChIKeyQQPBXYCLCPKKEN-UHFFFAOYSA-M
MW164.21 g/mol
LogP-0.11
Rot. Bonds2

About 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane

2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane (PubChem CID 91801668) has the molecular formula C5H10NO3S- and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane.

Molecular Properties

Compound Name2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane
PubChem CID91801668
Molecular FormulaC5H10NO3S-
Molecular Weight164.21 g/mol
Exact Mass164.04
IUPAC Name2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane
SMILESCC(C)C(=O)N(C)S(=O)[O-]
InChIInChI=1S/C5H11NO3S/c1-4(2)5(7)6(3)10(8)9/h4H,1-3H3,(H,8,9)/p-1
InChIKeyQQPBXYCLCPKKEN-UHFFFAOYSA-M
XLogP-0.11
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane 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-1-[methyl(sulfinato)amino]-1-oxopropane?
The IUPAC name of 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane (CID 91801668) is 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane.
What is the SMILES notation for 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane?
The canonical SMILES for 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane is CC(C)C(=O)N(C)S(=O)[O-].
What is the InChIKey of 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane?
The InChIKey is QQPBXYCLCPKKEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO3S/c1-4(2)5(7)6(3)10(8)9/h4H,1-3H3,(H,8,9)/p-1.
What are the key properties of 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane?
2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane has a molecular weight of 164.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(sulfinato)amino]-1-oxopropane is sourced from PubChem (CID 91801668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).