2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine

C11H16FNO2S — CID 73053528

IUPAC2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H16FNO2S/c1-13(2)6-7-16(14,15)9-10-4-3-5-11(12)8-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyRCJAJZRETAIHED-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.30
Rot. Bonds5

About 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine

2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine (PubChem CID 73053528) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine
PubChem CID73053528
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H16FNO2S/c1-13(2)6-7-16(14,15)9-10-4-3-5-11(12)8-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyRCJAJZRETAIHED-UHFFFAOYSA-N
XLogP1.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine (CID 73053528) is 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine is CN(C)CCS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine?
The InChIKey is RCJAJZRETAIHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-13(2)6-7-16(14,15)9-10-4-3-5-11(12)8-10/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine?
2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine has a molecular weight of 245.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfonyl]-N,N-dimethylethanamine is sourced from PubChem (CID 73053528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).