1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium

C11H24NS+ — CID 123806529

IUPAC1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium
SMILESC=C([N+](C)(C)C)S1(CCCC)CC1
InChIInChI=1S/C11H24NS/c1-6-7-8-13(9-10-13)11(2)12(3,4)5/h2,6-10H2,1,3-5H3/q+1
InChIKeyXPAIHYXCURDAOW-UHFFFAOYSA-N
MW202.39 g/mol
LogP2.78
Rot. Bonds5

About 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium

1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium (PubChem CID 123806529) has the molecular formula C11H24NS+ and a molecular weight of 202.39 g/mol. Its IUPAC name is 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium.

Molecular Properties

Compound Name1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium
PubChem CID123806529
Molecular FormulaC11H24NS+
Molecular Weight202.39 g/mol
Exact Mass202.16
IUPAC Name1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium
SMILESC=C([N+](C)(C)C)S1(CCCC)CC1
InChIInChI=1S/C11H24NS/c1-6-7-8-13(9-10-13)11(2)12(3,4)5/h2,6-10H2,1,3-5H3/q+1
InChIKeyXPAIHYXCURDAOW-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-butylsulfanyl-N,N-dimethylethenamine
CID 44720585
1-(1-Hexylthiiran-1-yl)ethenyl-trimethylazanium
CID 123614473
1-(1-butylthiiran-1-yl)-N,N-dimethylethenamine
CID 123743121
1-butylsulfanyl-N-ethyl-N-methylethenamine
CID 142050758
N-ethyl-N-methyl-1-propylsulfanylethenamine
CID 142050793
N,N-dimethyl-1-propylsulfanylethenamine
CID 142051117

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium?
The IUPAC name of 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium (CID 123806529) is 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium.
What is the SMILES notation for 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium?
The canonical SMILES for 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium is C=C([N+](C)(C)C)S1(CCCC)CC1.
What is the InChIKey of 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium?
The InChIKey is XPAIHYXCURDAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NS/c1-6-7-8-13(9-10-13)11(2)12(3,4)5/h2,6-10H2,1,3-5H3/q+1.
What are the key properties of 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium?
1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium has a molecular weight of 202.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylthiiran-1-yl)ethenyl-trimethylazanium is sourced from PubChem (CID 123806529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).