2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine

C10H21NO2S — CID 102640549

IUPAC2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCS(=O)(=O)CC)CNC
InChIInChI=1S/C10H21NO2S/c1-5-10(3,9-11-4)7-8-14(12,13)6-2/h5,11H,1,6-9H2,2-4H3
InChIKeyZUVCPRDWSGQFDB-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.22
Rot. Bonds7

About 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine

2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine (PubChem CID 102640549) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine
PubChem CID102640549
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCS(=O)(=O)CC)CNC
InChIInChI=1S/C10H21NO2S/c1-5-10(3,9-11-4)7-8-14(12,13)6-2/h5,11H,1,6-9H2,2-4H3
InChIKeyZUVCPRDWSGQFDB-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.22
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

2-(2-ethylsulfonylethyl)-2-methylbut-3-en-1-amine
CID 102640370
3-(bromomethyl)-3-methyl-5-propylsulfonylpent-1-ene
CID 106734734
N-ethyl-2-methyl-2-(2-propan-2-ylsulfonylethyl)but-3-en-1-amine
CID 106730434
5-ethylsulfonyl-N,2,2-trimethylpentan-1-amine
CID 65097556
5-ethylsulfonyl-2-methyl-1-(methylamino)pentan-2-ol
CID 66039843
2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine
CID 102641061
4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
CID 62724939
2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
N,2,2-trimethylbut-3-en-1-amine
CID 55288138
2-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 102640736
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
CID 83147780

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine?
The IUPAC name of 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine (CID 102640549) is 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine is C=CC(C)(CCS(=O)(=O)CC)CNC.
What is the InChIKey of 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine?
The InChIKey is ZUVCPRDWSGQFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-10(3,9-11-4)7-8-14(12,13)6-2/h5,11H,1,6-9H2,2-4H3.
What are the key properties of 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine?
2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 102640549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).