(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide

C15H23NO3S — CID 97177651

IUPAC(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide
SMILESCCNS(=O)(=O)[C@H]1CCOC[C@H]1Cc1ccc(C)cc1
InChIInChI=1S/C15H23NO3S/c1-3-16-20(17,18)15-8-9-19-11-14(15)10-13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyQLURYQVUWOURJE-CABCVRRESA-N
MW297.42 g/mol
LogP1.88
Rot. Bonds5

About (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide

(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide (PubChem CID 97177651) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide
PubChem CID97177651
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide
SMILESCCNS(=O)(=O)[C@H]1CCOC[C@H]1Cc1ccc(C)cc1
InChIInChI=1S/C15H23NO3S/c1-3-16-20(17,18)15-8-9-19-11-14(15)10-13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyQLURYQVUWOURJE-CABCVRRESA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
CID 71635460
(3R,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177635
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168004
3-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648171
(3R,4R)-3-[(2,4-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177666
(3S,4S)-3-[(2,5-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177641
(3R,4R)-3-[(4-methoxyphenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168008
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166603
(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166602
(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97167993
4-bromo-3-[(4-methylphenyl)methyl]oxane
CID 106471574
(3S,4S)-3-[(4-cyanophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175159

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide?
The IUPAC name of (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide (CID 97177651) is (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide is CCNS(=O)(=O)[C@H]1CCOC[C@H]1Cc1ccc(C)cc1.
What is the InChIKey of (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide?
The InChIKey is QLURYQVUWOURJE-CABCVRRESA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-16-20(17,18)15-8-9-19-11-14(15)10-13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide?
(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 97177651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).