2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine

C11H23NO2S — CID 102640649

IUPAC2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
SMILESC=CC(C)(CCCS(C)(=O)=O)CNCC
InChIInChI=1S/C11H23NO2S/c1-5-11(3,10-12-6-2)8-7-9-15(4,13)14/h5,12H,1,6-10H2,2-4H3
InChIKeyQLDVMQZJDIGUFN-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.61
Rot. Bonds8

About 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine

2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine (PubChem CID 102640649) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
PubChem CID102640649
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
SMILESC=CC(C)(CCCS(C)(=O)=O)CNCC
InChIInChI=1S/C11H23NO2S/c1-5-11(3,10-12-6-2)8-7-9-15(4,13)14/h5,12H,1,6-10H2,2-4H3
InChIKeyQLDVMQZJDIGUFN-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60693769
N-ethyl-2,2-dimethyl-5-methylsulfonylpentan-1-amine
CID 63196021
2,2-dimethyl-5-methylsulfonyl-N-propylpentan-1-amine
CID 63196022
N-(3-methylsulfonylpropyl)pent-4-en-1-amine
CID 64314648
N-(2-methylpentyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 65708705
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine
CID 75387511
N-(4-methylpentyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 83155772
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2,2-dimethyl-4-methylsulfonylbutan-1-amine
CID 97240088
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2,2-dimethyl-4-methylsulfonylbutan-1-amine
CID 97240089
2-Ethenyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 102640295
2-Ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine
CID 102640384
N,2-dimethyl-2-(2-methylsulfonylethyl)but-3-en-1-amine
CID 102640464

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
The IUPAC name of 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine (CID 102640649) is 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
The canonical SMILES for 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine is C=CC(C)(CCCS(C)(=O)=O)CNCC.
What is the InChIKey of 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
The InChIKey is QLDVMQZJDIGUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-11(3,10-12-6-2)8-7-9-15(4,13)14/h5,12H,1,6-10H2,2-4H3.
What are the key properties of 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 102640649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).