2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine

C8H17NO2S — CID 102640283

IUPAC2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-8(2,7-9)5-6-12(3,10)11/h4H,1,5-7,9H2,2-3H3
InChIKeyTZYVDPDQNIBYNI-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.57
Rot. Bonds5

About 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine

2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine (PubChem CID 102640283) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine
PubChem CID102640283
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-4-8(2,7-9)5-6-12(3,10)11/h4H,1,5-7,9H2,2-3H3
InChIKeyTZYVDPDQNIBYNI-UHFFFAOYSA-N
XLogP0.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.57
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-Methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640267
2-Ethenyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 102640295
2-(2-Ethylsulfonylethyl)-2-methylbut-3-en-1-amine
CID 102640370
2-Ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine
CID 102640384
N,2-dimethyl-2-(2-methylsulfonylethyl)but-3-en-1-amine
CID 102640464
2-ethenyl-N,2-dimethyl-5-methylsulfonylpentan-1-amine
CID 102640476
2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640549
2-ethenyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
CID 102640561
N-ethyl-2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine
CID 102640638
N-ethyl-2-(2-ethylsulfonylethyl)-2-methylbut-3-en-1-amine
CID 102640717
2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine
CID 102640805
2-(2-ethylsulfonylethyl)-2-methyl-N-propylbut-3-en-1-amine
CID 102640881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine (CID 102640283) is 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine is C=CC(C)(CN)CCS(C)(=O)=O.
What is the InChIKey of 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine?
The InChIKey is TZYVDPDQNIBYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-8(2,7-9)5-6-12(3,10)11/h4H,1,5-7,9H2,2-3H3.
What are the key properties of 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine?
2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine is sourced from PubChem (CID 102640283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).