2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine

C7H17NO3S — CID 65053005

IUPAC2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine
SMILESCC(C)(CN)OCCS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-7(2,6-8)11-4-5-12(3,9)10/h4-6,8H2,1-3H3
InChIKeyZWIRHPSLWSJBHK-UHFFFAOYSA-N
MW195.28 g/mol
LogP-0.22
Rot. Bonds5

About 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine

2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine (PubChem CID 65053005) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine
PubChem CID65053005
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine
SMILESCC(C)(CN)OCCS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-7(2,6-8)11-4-5-12(3,9)10/h4-6,8H2,1-3H3
InChIKeyZWIRHPSLWSJBHK-UHFFFAOYSA-N
XLogP-0.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine?
The IUPAC name of 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine (CID 65053005) is 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine?
The canonical SMILES for 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine is CC(C)(CN)OCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine?
The InChIKey is ZWIRHPSLWSJBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-7(2,6-8)11-4-5-12(3,9)10/h4-6,8H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine?
2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine has a molecular weight of 195.28 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylsulfonylethoxy)propan-1-amine is sourced from PubChem (CID 65053005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).