1-[methyl(sulfino)amino]propane

C4H11NO2S — CID 19356943

IUPAC1-[methyl(sulfino)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)
InChIKeyBHKKSGHMRWKLFL-UHFFFAOYSA-N
MW137.20 g/mol
LogP0.46
Rot. Bonds3

About 1-[methyl(sulfino)amino]propane

1-[methyl(sulfino)amino]propane (PubChem CID 19356943) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 1-[methyl(sulfino)amino]propane.

Molecular Properties

Compound Name1-[methyl(sulfino)amino]propane
PubChem CID19356943
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name1-[methyl(sulfino)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)
InChIKeyBHKKSGHMRWKLFL-UHFFFAOYSA-N
XLogP0.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 50.46
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 1-[methyl(sulfino)amino]propane?
The IUPAC name of 1-[methyl(sulfino)amino]propane (CID 19356943) is 1-[methyl(sulfino)amino]propane.
What is the SMILES notation for 1-[methyl(sulfino)amino]propane?
The canonical SMILES for 1-[methyl(sulfino)amino]propane is CCCN(C)S(=O)O.
What is the InChIKey of 1-[methyl(sulfino)amino]propane?
The InChIKey is BHKKSGHMRWKLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-3-4-5(2)8(6)7/h3-4H2,1-2H3,(H,6,7).
What are the key properties of 1-[methyl(sulfino)amino]propane?
1-[methyl(sulfino)amino]propane has a molecular weight of 137.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(sulfino)amino]propane is sourced from PubChem (CID 19356943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).