N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine

C15H25NO2S — CID 56825682

IUPACN-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCC(C)(C)CN(CCS(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)13-16(10-11-19(4,17)18)12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyTWWRWGYDBNASAZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.58
Rot. Bonds6

About N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine

N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine (PubChem CID 56825682) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine
PubChem CID56825682
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCC(C)(C)CN(CCS(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)13-16(10-11-19(4,17)18)12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyTWWRWGYDBNASAZ-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine?
The IUPAC name of N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine (CID 56825682) is N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine is CC(C)(C)CN(CCS(C)(=O)=O)Cc1ccccc1.
What is the InChIKey of N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine?
The InChIKey is TWWRWGYDBNASAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-15(2,3)13-16(10-11-19(4,17)18)12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3.
What are the key properties of N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine?
N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 56825682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).