2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine

C14H27NO3S — CID 75515384

IUPAC2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCC2(CS(C)(=O)=O)CC2)C(C)(C)O1
InChIInChI=1S/C14H27NO3S/c1-12(2)8-11(13(3,4)18-12)15-9-14(6-7-14)10-19(5,16)17/h11,15H,6-10H2,1-5H3
InChIKeyMMUNAMYKZLFTPU-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.75
Rot. Bonds5

About 2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine (PubChem CID 75515384) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine
PubChem CID75515384
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCC2(CS(C)(=O)=O)CC2)C(C)(C)O1
InChIInChI=1S/C14H27NO3S/c1-12(2)8-11(13(3,4)18-12)15-9-14(6-7-14)10-19(5,16)17/h11,15H,6-10H2,1-5H3
InChIKeyMMUNAMYKZLFTPU-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.75
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-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine (CID 75515384) is 2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine is CC1(C)CC(NCC2(CS(C)(=O)=O)CC2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine?
The InChIKey is MMUNAMYKZLFTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-12(2)8-11(13(3,4)18-12)15-9-14(6-7-14)10-19(5,16)17/h11,15H,6-10H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine has a molecular weight of 289.44 g/mol, XLogP of 1.75, 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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]oxolan-3-amine is sourced from PubChem (CID 75515384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).