2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine

C15H29NO2S — CID 75515369

IUPAC2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
SMILESCSC1(CNC2CC(C)(C)OC2(C)C)CCOCC1
InChIInChI=1S/C15H29NO2S/c1-13(2)10-12(14(3,4)18-13)16-11-15(19-5)6-8-17-9-7-15/h12,16H,6-11H2,1-5H3
InChIKeyYJFPLZLTYLMESI-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.83
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine (PubChem CID 75515369) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
PubChem CID75515369
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
SMILESCSC1(CNC2CC(C)(C)OC2(C)C)CCOCC1
InChIInChI=1S/C15H29NO2S/c1-13(2)10-12(14(3,4)18-13)16-11-15(19-5)6-8-17-9-7-15/h12,16H,6-11H2,1-5H3
InChIKeyYJFPLZLTYLMESI-UHFFFAOYSA-N
XLogP2.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.83
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-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine (CID 75515369) is 2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine is CSC1(CNC2CC(C)(C)OC2(C)C)CCOCC1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine?
The InChIKey is YJFPLZLTYLMESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-13(2)10-12(14(3,4)18-13)16-11-15(19-5)6-8-17-9-7-15/h12,16H,6-11H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine has a molecular weight of 287.47 g/mol, XLogP of 2.83, 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-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 75515369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).