2-(4,4-dimethylpentylsulfonyl)ethanamine

C9H21NO2S — CID 166827928

IUPAC2-(4,4-dimethylpentylsulfonyl)ethanamine
SMILESCC(C)(C)CCCS(=O)(=O)CCN
InChIInChI=1S/C9H21NO2S/c1-9(2,3)5-4-7-13(11,12)8-6-10/h4-8,10H2,1-3H3
InChIKeyWODKVDCKSQKGAZ-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.19
Rot. Bonds5

About 2-(4,4-dimethylpentylsulfonyl)ethanamine

2-(4,4-dimethylpentylsulfonyl)ethanamine (PubChem CID 166827928) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-(4,4-dimethylpentylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylpentylsulfonyl)ethanamine
PubChem CID166827928
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2-(4,4-dimethylpentylsulfonyl)ethanamine
SMILESCC(C)(C)CCCS(=O)(=O)CCN
InChIInChI=1S/C9H21NO2S/c1-9(2,3)5-4-7-13(11,12)8-6-10/h4-8,10H2,1-3H3
InChIKeyWODKVDCKSQKGAZ-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentylsulfonyl)ethanamine?
The IUPAC name of 2-(4,4-dimethylpentylsulfonyl)ethanamine (CID 166827928) is 2-(4,4-dimethylpentylsulfonyl)ethanamine.
What is the SMILES notation for 2-(4,4-dimethylpentylsulfonyl)ethanamine?
The canonical SMILES for 2-(4,4-dimethylpentylsulfonyl)ethanamine is CC(C)(C)CCCS(=O)(=O)CCN.
What is the InChIKey of 2-(4,4-dimethylpentylsulfonyl)ethanamine?
The InChIKey is WODKVDCKSQKGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(2,3)5-4-7-13(11,12)8-6-10/h4-8,10H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpentylsulfonyl)ethanamine?
2-(4,4-dimethylpentylsulfonyl)ethanamine has a molecular weight of 207.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentylsulfonyl)ethanamine is sourced from PubChem (CID 166827928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).