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

C5H12NO3S- — CID 122678417

IUPAC(2S)-2-methoxy-1-[methyl(sulfinato)amino]propane
SMILESCO[C@@H](C)CN(C)S(=O)[O-]
InChIInChI=1S/C5H13NO3S/c1-5(9-3)4-6(2)10(7)8/h5H,4H2,1-3H3,(H,7,8)/p-1/t5-/m0/s1
InChIKeyOHCDUWSJBJQGEF-YFKPBYRVSA-M
MW166.22 g/mol
LogP-0.25
Rot. Bonds4

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

(2S)-2-methoxy-1-[methyl(sulfinato)amino]propane (PubChem CID 122678417) has the molecular formula C5H12NO3S- and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S)-2-methoxy-1-[methyl(sulfinato)amino]propane.

Molecular Properties

Compound Name(2S)-2-methoxy-1-[methyl(sulfinato)amino]propane
PubChem CID122678417
Molecular FormulaC5H12NO3S-
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name(2S)-2-methoxy-1-[methyl(sulfinato)amino]propane
SMILESCO[C@@H](C)CN(C)S(=O)[O-]
InChIInChI=1S/C5H13NO3S/c1-5(9-3)4-6(2)10(7)8/h5H,4H2,1-3H3,(H,7,8)/p-1/t5-/m0/s1
InChIKeyOHCDUWSJBJQGEF-YFKPBYRVSA-M
XLogP-0.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2S)-2-methoxy-1-[methyl(sulfinato)amino]propane?
The IUPAC name of (2S)-2-methoxy-1-[methyl(sulfinato)amino]propane (CID 122678417) is (2S)-2-methoxy-1-[methyl(sulfinato)amino]propane.
What is the SMILES notation for (2S)-2-methoxy-1-[methyl(sulfinato)amino]propane?
The canonical SMILES for (2S)-2-methoxy-1-[methyl(sulfinato)amino]propane is CO[C@@H](C)CN(C)S(=O)[O-].
What is the InChIKey of (2S)-2-methoxy-1-[methyl(sulfinato)amino]propane?
The InChIKey is OHCDUWSJBJQGEF-YFKPBYRVSA-M. The full InChI is InChI=1S/C5H13NO3S/c1-5(9-3)4-6(2)10(7)8/h5H,4H2,1-3H3,(H,7,8)/p-1/t5-/m0/s1.
What are the key properties of (2S)-2-methoxy-1-[methyl(sulfinato)amino]propane?
(2S)-2-methoxy-1-[methyl(sulfinato)amino]propane has a molecular weight of 166.22 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-1-[methyl(sulfinato)amino]propane is sourced from PubChem (CID 122678417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).