N,N-dimethyl-2-phenylsulfanylethanesulfonamide

C10H15NO2S2 — CID 175834515

IUPACN,N-dimethyl-2-phenylsulfanylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCSc1ccccc1
InChIInChI=1S/C10H15NO2S2/c1-11(2)15(12,13)9-8-14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyXTHNBQRJVPMRKW-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.67
Rot. Bonds5

About N,N-dimethyl-2-phenylsulfanylethanesulfonamide

N,N-dimethyl-2-phenylsulfanylethanesulfonamide (PubChem CID 175834515) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylsulfanylethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylsulfanylethanesulfonamide
PubChem CID175834515
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN,N-dimethyl-2-phenylsulfanylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCSc1ccccc1
InChIInChI=1S/C10H15NO2S2/c1-11(2)15(12,13)9-8-14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyXTHNBQRJVPMRKW-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylsulfanylethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-phenylsulfanylethanesulfonamide (CID 175834515) is N,N-dimethyl-2-phenylsulfanylethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-phenylsulfanylethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-phenylsulfanylethanesulfonamide is CN(C)S(=O)(=O)CCSc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenylsulfanylethanesulfonamide?
The InChIKey is XTHNBQRJVPMRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-11(2)15(12,13)9-8-14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-phenylsulfanylethanesulfonamide?
N,N-dimethyl-2-phenylsulfanylethanesulfonamide has a molecular weight of 245.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylsulfanylethanesulfonamide is sourced from PubChem (CID 175834515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).