[methyl(2-methylsulfonylethyl)amino]methanol

C5H13NO3S — CID 174115571

IUPAC[methyl(2-methylsulfonylethyl)amino]methanol
SMILESCN(CO)CCS(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-6(5-7)3-4-10(2,8)9/h7H,3-5H2,1-2H3
InChIKeyMBUJNWJQEFKOQP-UHFFFAOYSA-N
MW167.23 g/mol
LogP-1.09
Rot. Bonds4

About [methyl(2-methylsulfonylethyl)amino]methanol

[methyl(2-methylsulfonylethyl)amino]methanol (PubChem CID 174115571) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is [methyl(2-methylsulfonylethyl)amino]methanol.

Molecular Properties

Compound Name[methyl(2-methylsulfonylethyl)amino]methanol
PubChem CID174115571
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name[methyl(2-methylsulfonylethyl)amino]methanol
SMILESCN(CO)CCS(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-6(5-7)3-4-10(2,8)9/h7H,3-5H2,1-2H3
InChIKeyMBUJNWJQEFKOQP-UHFFFAOYSA-N
XLogP-1.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl(2-methylsulfonylethyl)amino]methanol?
The IUPAC name of [methyl(2-methylsulfonylethyl)amino]methanol (CID 174115571) is [methyl(2-methylsulfonylethyl)amino]methanol.
What is the SMILES notation for [methyl(2-methylsulfonylethyl)amino]methanol?
The canonical SMILES for [methyl(2-methylsulfonylethyl)amino]methanol is CN(CO)CCS(C)(=O)=O.
What is the InChIKey of [methyl(2-methylsulfonylethyl)amino]methanol?
The InChIKey is MBUJNWJQEFKOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-6(5-7)3-4-10(2,8)9/h7H,3-5H2,1-2H3.
What are the key properties of [methyl(2-methylsulfonylethyl)amino]methanol?
[methyl(2-methylsulfonylethyl)amino]methanol has a molecular weight of 167.23 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(2-methylsulfonylethyl)amino]methanol is sourced from PubChem (CID 174115571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).