2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine

C11H23NO2S — CID 102640805

IUPAC2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCS(C)(=O)=O)CNCCC
InChIInChI=1S/C11H23NO2S/c1-5-8-12-10-11(3,6-2)7-9-15(4,13)14/h6,12H,2,5,7-10H2,1,3-4H3
InChIKeyUNRQDPMTZBVSCY-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.61
Rot. Bonds8

About 2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine

2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine (PubChem CID 102640805) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine
PubChem CID102640805
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCS(C)(=O)=O)CNCCC
InChIInChI=1S/C11H23NO2S/c1-5-8-12-10-11(3,6-2)7-9-15(4,13)14/h6,12H,2,5,7-10H2,1,3-4H3
InChIKeyUNRQDPMTZBVSCY-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-methylsulfonylpent-4-en-1-amine
CID 22082532
N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60693769
N-(3-methylsulfonylpropyl)but-3-en-1-amine
CID 64314647
N-(3-methylsulfonylpropyl)pent-4-en-1-amine
CID 64314648
N-[(1,1-dioxothiolan-3-yl)methyl]pent-4-en-1-amine
CID 64314880
N-(2-methylsulfonylethyl)pent-4-en-1-amine
CID 64315814
3-methyl-1,1-dioxo-N-pent-4-enylthiolan-3-amine
CID 64316061
N-(1-methylsulfonylpropan-2-yl)pent-4-en-1-amine
CID 64643973
N-but-3-enyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552361
N-(2-methyl-2-methylsulfonylpropyl)pent-4-en-1-amine
CID 79552465
2-Methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine
CID 102640283
2-(2-Ethylsulfonylethyl)-2-methylbut-3-en-1-amine
CID 102640370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine?
The IUPAC name of 2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine (CID 102640805) is 2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine is C=CC(C)(CCS(C)(=O)=O)CNCCC.
What is the InChIKey of 2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine?
The InChIKey is UNRQDPMTZBVSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-8-12-10-11(3,6-2)7-9-15(4,13)14/h6,12H,2,5,7-10H2,1,3-4H3.
What are the key properties of 2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine?
2-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-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-methyl-2-(2-methylsulfonylethyl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 102640805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).