1-[methyl(sulfinato)amino]propane

C4H10NO2S- — CID 19356942

IUPAC1-[methyl(sulfinato)amino]propane
SMILESCCCN(C)S(=O)[O-]
InChIInChI=1S/C4H11NO2S/c1-3-4-5(2)8(6)7/h3-4H2,1-2H3,(H,6,7)/p-1
InChIKeyBHKKSGHMRWKLFL-UHFFFAOYSA-M
MW136.20 g/mol
LogP0.12
Rot. Bonds3

About 1-[methyl(sulfinato)amino]propane

1-[methyl(sulfinato)amino]propane (PubChem CID 19356942) has the molecular formula C4H10NO2S- and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-[methyl(sulfinato)amino]propane.

Molecular Properties

Compound Name1-[methyl(sulfinato)amino]propane
PubChem CID19356942
Molecular FormulaC4H10NO2S-
Molecular Weight136.20 g/mol
Exact Mass136.04
IUPAC Name1-[methyl(sulfinato)amino]propane
SMILESCCCN(C)S(=O)[O-]
InChIInChI=1S/C4H11NO2S/c1-3-4-5(2)8(6)7/h3-4H2,1-2H3,(H,6,7)/p-1
InChIKeyBHKKSGHMRWKLFL-UHFFFAOYSA-M
XLogP0.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[methyl(sulfinato)amino]propane?
The IUPAC name of 1-[methyl(sulfinato)amino]propane (CID 19356942) is 1-[methyl(sulfinato)amino]propane.
What is the SMILES notation for 1-[methyl(sulfinato)amino]propane?
The canonical SMILES for 1-[methyl(sulfinato)amino]propane is CCCN(C)S(=O)[O-].
What is the InChIKey of 1-[methyl(sulfinato)amino]propane?
The InChIKey is BHKKSGHMRWKLFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO2S/c1-3-4-5(2)8(6)7/h3-4H2,1-2H3,(H,6,7)/p-1.
What are the key properties of 1-[methyl(sulfinato)amino]propane?
1-[methyl(sulfinato)amino]propane has a molecular weight of 136.20 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(sulfinato)amino]propane is sourced from PubChem (CID 19356942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).