N-benzyl-N-methylmethanesulfonamide

C9H13NO2S — CID 669105

IUPACN-benzyl-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-10(13(2,11)12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyDRSHSWDGJPLMDW-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.08
Rot. Bonds3

About N-benzyl-N-methylmethanesulfonamide

N-benzyl-N-methylmethanesulfonamide (PubChem CID 669105) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-benzyl-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methylmethanesulfonamide
PubChem CID669105
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-benzyl-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-10(13(2,11)12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyDRSHSWDGJPLMDW-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylmethanesulfonamide?
The IUPAC name of N-benzyl-N-methylmethanesulfonamide (CID 669105) is N-benzyl-N-methylmethanesulfonamide.
What is the SMILES notation for N-benzyl-N-methylmethanesulfonamide?
The canonical SMILES for N-benzyl-N-methylmethanesulfonamide is CN(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-methylmethanesulfonamide?
The InChIKey is DRSHSWDGJPLMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-10(13(2,11)12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of N-benzyl-N-methylmethanesulfonamide?
N-benzyl-N-methylmethanesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylmethanesulfonamide is sourced from PubChem (CID 669105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).