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

C5H13NO2S — CID 19733480

IUPAC2-methyl-1-[methyl(sulfino)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)
InChIKeyCSMGBAWPLGKYDW-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.71
Rot. Bonds3

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

2-methyl-1-[methyl(sulfino)amino]propane (PubChem CID 19733480) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-methyl-1-[methyl(sulfino)amino]propane.

Molecular Properties

Compound Name2-methyl-1-[methyl(sulfino)amino]propane
PubChem CID19733480
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-methyl-1-[methyl(sulfino)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)
InChIKeyCSMGBAWPLGKYDW-UHFFFAOYSA-N
XLogP0.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(sulfino)amino]propane?
The IUPAC name of 2-methyl-1-[methyl(sulfino)amino]propane (CID 19733480) is 2-methyl-1-[methyl(sulfino)amino]propane.
What is the SMILES notation for 2-methyl-1-[methyl(sulfino)amino]propane?
The canonical SMILES for 2-methyl-1-[methyl(sulfino)amino]propane is CC(C)CN(C)S(=O)O.
What is the InChIKey of 2-methyl-1-[methyl(sulfino)amino]propane?
The InChIKey is CSMGBAWPLGKYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2)4-6(3)9(7)8/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of 2-methyl-1-[methyl(sulfino)amino]propane?
2-methyl-1-[methyl(sulfino)amino]propane has a molecular weight of 151.23 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(sulfino)amino]propane is sourced from PubChem (CID 19733480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).