N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide

C17H27NO3S — CID 99832812

IUPACN-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide
SMILESCC(C)[C@H](CNS(=O)(=O)C1CCOCC1)Cc1ccccc1
InChIInChI=1S/C17H27NO3S/c1-14(2)16(12-15-6-4-3-5-7-15)13-18-22(19,20)17-8-10-21-11-9-17/h3-7,14,16-18H,8-13H2,1-2H3/t16-/m0/s1
InChIKeyZCEUZUMGOOQNJX-INIZCTEOSA-N
MW325.47 g/mol
LogP2.60
Rot. Bonds7

About N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide

N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide (PubChem CID 99832812) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide
PubChem CID99832812
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide
SMILESCC(C)[C@H](CNS(=O)(=O)C1CCOCC1)Cc1ccccc1
InChIInChI=1S/C17H27NO3S/c1-14(2)16(12-15-6-4-3-5-7-15)13-18-22(19,20)17-8-10-21-11-9-17/h3-7,14,16-18H,8-13H2,1-2H3/t16-/m0/s1
InChIKeyZCEUZUMGOOQNJX-INIZCTEOSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide?
The IUPAC name of N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide (CID 99832812) is N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide is CC(C)[C@H](CNS(=O)(=O)C1CCOCC1)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide?
The InChIKey is ZCEUZUMGOOQNJX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-14(2)16(12-15-6-4-3-5-7-15)13-18-22(19,20)17-8-10-21-11-9-17/h3-7,14,16-18H,8-13H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide?
N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide has a molecular weight of 325.47 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-benzyl-3-methylbutyl]oxane-4-sulfonamide is sourced from PubChem (CID 99832812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).