2-(3,3-dimethylbutylsulfonyl)ethanamine

C8H19NO2S — CID 81174127

IUPAC2-(3,3-dimethylbutylsulfonyl)ethanamine
SMILESCC(C)(C)CCS(=O)(=O)CCN
InChIInChI=1S/C8H19NO2S/c1-8(2,3)4-6-12(10,11)7-5-9/h4-7,9H2,1-3H3
InChIKeyUJDBKLLMNVBWID-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.80
Rot. Bonds4

About 2-(3,3-dimethylbutylsulfonyl)ethanamine

2-(3,3-dimethylbutylsulfonyl)ethanamine (PubChem CID 81174127) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylbutylsulfonyl)ethanamine
PubChem CID81174127
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-(3,3-dimethylbutylsulfonyl)ethanamine
SMILESCC(C)(C)CCS(=O)(=O)CCN
InChIInChI=1S/C8H19NO2S/c1-8(2,3)4-6-12(10,11)7-5-9/h4-7,9H2,1-3H3
InChIKeyUJDBKLLMNVBWID-UHFFFAOYSA-N
XLogP0.80
TPSA60.16 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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylsulfonyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylbutylsulfonyl)ethanamine (CID 81174127) is 2-(3,3-dimethylbutylsulfonyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylbutylsulfonyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylbutylsulfonyl)ethanamine is CC(C)(C)CCS(=O)(=O)CCN.
What is the InChIKey of 2-(3,3-dimethylbutylsulfonyl)ethanamine?
The InChIKey is UJDBKLLMNVBWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-8(2,3)4-6-12(10,11)7-5-9/h4-7,9H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutylsulfonyl)ethanamine?
2-(3,3-dimethylbutylsulfonyl)ethanamine has a molecular weight of 193.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylsulfonyl)ethanamine is sourced from PubChem (CID 81174127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).