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

C8H19NO2S — CID 61167022

IUPAC2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCC(C)(C)CNCCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-8(2,3)7-9-5-6-12(4,10)11/h9H,5-7H2,1-4H3
InChIKeyOLGFGRVDFKMMEK-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.67
Rot. Bonds4

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

2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine (PubChem CID 61167022) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine
PubChem CID61167022
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine
SMILESCC(C)(C)CNCCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-8(2,3)7-9-5-6-12(4,10)11/h9H,5-7H2,1-4H3
InChIKeyOLGFGRVDFKMMEK-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine (CID 61167022) is 2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine is CC(C)(C)CNCCS(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine?
The InChIKey is OLGFGRVDFKMMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-8(2,3)7-9-5-6-12(4,10)11/h9H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine?
2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 61167022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).