2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine

C13H27NO3S — CID 86803384

IUPAC2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine
SMILESCC(CNC1CC(C)(C)OC1(C)C)CS(C)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-10(9-18(6,15)16)8-14-11-7-12(2,3)17-13(11,4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyLAXFCYYZKNBCRH-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.60
Rot. Bonds5

About 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine (PubChem CID 86803384) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine
PubChem CID86803384
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine
SMILESCC(CNC1CC(C)(C)OC1(C)C)CS(C)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-10(9-18(6,15)16)8-14-11-7-12(2,3)17-13(11,4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyLAXFCYYZKNBCRH-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine (CID 86803384) is 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine is CC(CNC1CC(C)(C)OC1(C)C)CS(C)(=O)=O.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine?
The InChIKey is LAXFCYYZKNBCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-10(9-18(6,15)16)8-14-11-7-12(2,3)17-13(11,4)5/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine has a molecular weight of 277.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(2-methyl-3-methylsulfonylpropyl)oxolan-3-amine is sourced from PubChem (CID 86803384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).