N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine

C11H17NO2S — CID 11401905

IUPACN,N-dimethyl-2-methylsulfonyl-1-phenylethanamine
SMILESCN(C)C(CS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-12(2)11(9-15(3,13)14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyCHGWGPNDHXQOIK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.33
Rot. Bonds4

About N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine

N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine (PubChem CID 11401905) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfonyl-1-phenylethanamine
PubChem CID11401905
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN,N-dimethyl-2-methylsulfonyl-1-phenylethanamine
SMILESCN(C)C(CS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-12(2)11(9-15(3,13)14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyCHGWGPNDHXQOIK-UHFFFAOYSA-N
XLogP1.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.33
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-methylsulfonyl-1-phenylethanamine?
The IUPAC name of N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine (CID 11401905) is N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine?
The canonical SMILES for N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine is CN(C)C(CS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine?
The InChIKey is CHGWGPNDHXQOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12(2)11(9-15(3,13)14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine?
N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine is sourced from PubChem (CID 11401905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).