N-methyl-3-methylsulfonylpropan-1-amine

C5H13NO2S — CID 22277805

IUPACN-methyl-3-methylsulfonylpropan-1-amine
SMILESCNCCCS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-6-4-3-5-9(2,7)8/h6H,3-5H2,1-2H3
InChIKeyHWICGHDJCTXYBB-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.36
Rot. Bonds4

About N-methyl-3-methylsulfonylpropan-1-amine

N-methyl-3-methylsulfonylpropan-1-amine (PubChem CID 22277805) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N-methyl-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonylpropan-1-amine
PubChem CID22277805
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN-methyl-3-methylsulfonylpropan-1-amine
SMILESCNCCCS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-6-4-3-5-9(2,7)8/h6H,3-5H2,1-2H3
InChIKeyHWICGHDJCTXYBB-UHFFFAOYSA-N
XLogP-0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-methyl-3-methylsulfonylpropan-1-amine (CID 22277805) is N-methyl-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfonylpropan-1-amine is CNCCCS(C)(=O)=O.
What is the InChIKey of N-methyl-3-methylsulfonylpropan-1-amine?
The InChIKey is HWICGHDJCTXYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-6-4-3-5-9(2,7)8/h6H,3-5H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfonylpropan-1-amine?
N-methyl-3-methylsulfonylpropan-1-amine has a molecular weight of 151.23 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 22277805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).