N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide

C14H21NO3S — CID 91905257

IUPACN-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO3S/c1-15(11-13-7-9-18-10-8-13)19(16,17)12-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyYZBHNUDLYATDAA-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.87
Rot. Bonds5

About N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide

N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide (PubChem CID 91905257) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide
PubChem CID91905257
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO3S/c1-15(11-13-7-9-18-10-8-13)19(16,17)12-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyYZBHNUDLYATDAA-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide (CID 91905257) is N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide is CN(CC1CCOCC1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide?
The InChIKey is YZBHNUDLYATDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-15(11-13-7-9-18-10-8-13)19(16,17)12-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide?
N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 91905257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).