2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine

C12H25NOS — CID 75483009

IUPAC2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine
SMILESCSC(C)CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NOS/c1-9(15-6)8-13-10-7-11(2,3)14-12(10,4)5/h9-10,13H,7-8H2,1-6H3
InChIKeyZMJXGBLDWBVOGV-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.67
Rot. Bonds4

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

2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine (PubChem CID 75483009) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine
PubChem CID75483009
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine
SMILESCSC(C)CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NOS/c1-9(15-6)8-13-10-7-11(2,3)14-12(10,4)5/h9-10,13H,7-8H2,1-6H3
InChIKeyZMJXGBLDWBVOGV-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine (CID 75483009) is 2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine is CSC(C)CNC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine?
The InChIKey is ZMJXGBLDWBVOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(15-6)8-13-10-7-11(2,3)14-12(10,4)5/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine has a molecular weight of 231.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(2-methylsulfanylpropyl)oxolan-3-amine is sourced from PubChem (CID 75483009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).