(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine

C16H25NO2S — CID 97102338

IUPAC(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine
SMILESC[S@](=O)c1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-15(2)10-14(16(3,4)19-15)17-11-12-6-8-13(9-7-12)20(5)18/h6-9,14,17H,10-11H2,1-5H3/t14-,20+/m1/s1
InChIKeyLDDKOWJYECPVER-VLIAUNLRSA-N
MW295.45 g/mol
LogP2.86
Rot. Bonds4

About (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine

(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine (PubChem CID 97102338) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine
PubChem CID97102338
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine
SMILESC[S@](=O)c1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C16H25NO2S/c1-15(2)10-14(16(3,4)19-15)17-11-12-6-8-13(9-7-12)20(5)18/h6-9,14,17H,10-11H2,1-5H3/t14-,20+/m1/s1
InChIKeyLDDKOWJYECPVER-VLIAUNLRSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine?
The IUPAC name of (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine (CID 97102338) is (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine?
The canonical SMILES for (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine is C[S@](=O)c1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cc1.
What is the InChIKey of (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine?
The InChIKey is LDDKOWJYECPVER-VLIAUNLRSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-15(2)10-14(16(3,4)19-15)17-11-12-6-8-13(9-7-12)20(5)18/h6-9,14,17H,10-11H2,1-5H3/t14-,20+/m1/s1.
What are the key properties of (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine?
(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine has a molecular weight of 295.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 97102338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).