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

C5H12NO2S- — CID 19733479

IUPAC2-methyl-1-[methyl(sulfinato)amino]propane
SMILESCC(C)CN(C)S(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-5(2)4-6(3)9(7)8/h5H,4H2,1-3H3,(H,7,8)/p-1
InChIKeyCSMGBAWPLGKYDW-UHFFFAOYSA-M
MW150.22 g/mol
LogP0.37
Rot. Bonds3

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

2-methyl-1-[methyl(sulfinato)amino]propane (PubChem CID 19733479) has the molecular formula C5H12NO2S- and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-1-[methyl(sulfinato)amino]propane.

Molecular Properties

Compound Name2-methyl-1-[methyl(sulfinato)amino]propane
PubChem CID19733479
Molecular FormulaC5H12NO2S-
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name2-methyl-1-[methyl(sulfinato)amino]propane
SMILESCC(C)CN(C)S(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-5(2)4-6(3)9(7)8/h5H,4H2,1-3H3,(H,7,8)/p-1
InChIKeyCSMGBAWPLGKYDW-UHFFFAOYSA-M
XLogP0.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-N-(2-methylpropyl)sulfamoyl chloride
CID 43272017
Dipropyl sulfonamide
CID 21161749
1-[Methyl(sulfinato)amino]butane
CID 19356906
1-[Methyl(sulfinato)amino]propane
CID 19356942
2-Methyl-1-[2-methylpropyl(sulfinato)amino]propane
CID 21933602
1-[Ethyl(sulfinato)amino]propane
CID 22988954
Methyl(2-methylpropyl)sulfamic acid
CID 23466965
Ethyl(2-methylpropyl)sulfamic acid
CID 23466972
2-Methyl-1-[methyl(sulfamoyl)amino]propane
CID 43272368
2,3-Dimethyl-1-[methyl(sulfinato)amino]butane
CID 56991107
1-[Ethyl(sulfinato)amino]-3-methylbutane
CID 56999358
1-[Ethyl(sulfinato)amino]-2-methylbutane
CID 57039478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(sulfinato)amino]propane?
The IUPAC name of 2-methyl-1-[methyl(sulfinato)amino]propane (CID 19733479) is 2-methyl-1-[methyl(sulfinato)amino]propane.
What is the SMILES notation for 2-methyl-1-[methyl(sulfinato)amino]propane?
The canonical SMILES for 2-methyl-1-[methyl(sulfinato)amino]propane is CC(C)CN(C)S(=O)[O-].
What is the InChIKey of 2-methyl-1-[methyl(sulfinato)amino]propane?
The InChIKey is CSMGBAWPLGKYDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO2S/c1-5(2)4-6(3)9(7)8/h5H,4H2,1-3H3,(H,7,8)/p-1.
What are the key properties of 2-methyl-1-[methyl(sulfinato)amino]propane?
2-methyl-1-[methyl(sulfinato)amino]propane has a molecular weight of 150.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(sulfinato)amino]propane is sourced from PubChem (CID 19733479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).