2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine

C12H25NO3S — CID 79928275

IUPAC2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine
SMILESCC(CS(C)(=O)=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO3S/c1-9(8-17(6,14)15)13-10-7-11(2,3)16-12(10,4)5/h9-10,13H,7-8H2,1-6H3
InChIKeyMMICZHXTNSEUAU-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine (PubChem CID 79928275) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine
PubChem CID79928275
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine
SMILESCC(CS(C)(=O)=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO3S/c1-9(8-17(6,14)15)13-10-7-11(2,3)16-12(10,4)5/h9-10,13H,7-8H2,1-6H3
InChIKeyMMICZHXTNSEUAU-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
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-(1-methylsulfonylpropan-2-yl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine (CID 79928275) is 2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine is CC(CS(C)(=O)=O)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine?
The InChIKey is MMICZHXTNSEUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-9(8-17(6,14)15)13-10-7-11(2,3)16-12(10,4)5/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(1-methylsulfonylpropan-2-yl)oxolan-3-amine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 4 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-(1-methylsulfonylpropan-2-yl)oxolan-3-amine is sourced from PubChem (CID 79928275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).