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

C11H25NO2S — CID 146251531

IUPAC2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCS(C)(=O)=O)CC(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2)12(9-11(3,4)5)7-8-15(6,13)14/h10H,7-9H2,1-6H3
InChIKeyHNGSCVRMZJTCNL-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.79
Rot. Bonds5

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

2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 146251531) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine
PubChem CID146251531
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCS(C)(=O)=O)CC(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-10(2)12(9-11(3,4)5)7-8-15(6,13)14/h10H,7-9H2,1-6H3
InChIKeyHNGSCVRMZJTCNL-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine (CID 146251531) is 2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine is CC(C)N(CCS(C)(=O)=O)CC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is HNGSCVRMZJTCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-10(2)12(9-11(3,4)5)7-8-15(6,13)14/h10H,7-9H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine?
2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 146251531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).