N-ethyl-2-(2-methylbutylsulfonyl)ethanamine

C9H21NO2S — CID 107757587

IUPACN-ethyl-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCNCCS(=O)(=O)CC(C)CC
InChIInChI=1S/C9H21NO2S/c1-4-9(3)8-13(11,12)7-6-10-5-2/h9-10H,4-8H2,1-3H3
InChIKeyOQRQYFBNDAWSBB-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.06
Rot. Bonds7

About N-ethyl-2-(2-methylbutylsulfonyl)ethanamine

N-ethyl-2-(2-methylbutylsulfonyl)ethanamine (PubChem CID 107757587) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-ethyl-2-(2-methylbutylsulfonyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylbutylsulfonyl)ethanamine
PubChem CID107757587
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-ethyl-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCNCCS(=O)(=O)CC(C)CC
InChIInChI=1S/C9H21NO2S/c1-4-9(3)8-13(11,12)7-6-10-5-2/h9-10H,4-8H2,1-3H3
InChIKeyOQRQYFBNDAWSBB-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.06
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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Related Compounds

N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757585
2-ethoxy-N-[2-(2-methylbutylsulfonyl)ethyl]ethanamine
CID 107757643
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
4-(2-methylbutylsulfonyl)-N-propylbutan-1-amine
CID 107757626
N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine
CID 107757631
(2R)-2-methyl-1-(3,3,3-trifluoropropylsulfonyl)butane
CID 130294591
3-(2-methylbutylsulfonyl)propanoic acid
CID 62105864
N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine
CID 107757568
2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline
CID 107757559
N-[2-(2-methylpropylsulfonyl)ethyl]hexan-1-amine
CID 106512908
N-[2-(2-methylpropylsulfonyl)ethyl]-2-methylsulfonylethanamine
CID 106512902
ethyl 3-(2-methylbutylsulfonyl)propanoate
CID 107746710

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylbutylsulfonyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylbutylsulfonyl)ethanamine (CID 107757587) is N-ethyl-2-(2-methylbutylsulfonyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylbutylsulfonyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylbutylsulfonyl)ethanamine is CCNCCS(=O)(=O)CC(C)CC.
What is the InChIKey of N-ethyl-2-(2-methylbutylsulfonyl)ethanamine?
The InChIKey is OQRQYFBNDAWSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-9(3)8-13(11,12)7-6-10-5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methylbutylsulfonyl)ethanamine?
N-ethyl-2-(2-methylbutylsulfonyl)ethanamine has a molecular weight of 207.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylbutylsulfonyl)ethanamine is sourced from PubChem (CID 107757587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).