trimethyl(prop-2-enylsulfanyl)azanium

C6H14NS+ — CID 174540923

IUPACtrimethyl(prop-2-enylsulfanyl)azanium
SMILESC=CCS[N+](C)(C)C
InChIInChI=1S/C6H14NS/c1-5-6-8-7(2,3)4/h5H,1,6H2,2-4H3/q+1
InChIKeyGKDXQVDEPLSXBP-UHFFFAOYSA-N
MW132.25 g/mol
LogP1.53
Rot. Bonds3

About trimethyl(prop-2-enylsulfanyl)azanium

trimethyl(prop-2-enylsulfanyl)azanium (PubChem CID 174540923) has the molecular formula C6H14NS+ and a molecular weight of 132.25 g/mol. Its IUPAC name is trimethyl(prop-2-enylsulfanyl)azanium.

Molecular Properties

Compound Nametrimethyl(prop-2-enylsulfanyl)azanium
PubChem CID174540923
Molecular FormulaC6H14NS+
Molecular Weight132.25 g/mol
Exact Mass132.08
IUPAC Nametrimethyl(prop-2-enylsulfanyl)azanium
SMILESC=CCS[N+](C)(C)C
InChIInChI=1S/C6H14NS/c1-5-6-8-7(2,3)4/h5H,1,6H2,2-4H3/q+1
InChIKeyGKDXQVDEPLSXBP-UHFFFAOYSA-N
XLogP1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze trimethyl(prop-2-enylsulfanyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-prop-2-enylsulfanylmethanamine
CID 134871379
N-ethyl-N-prop-2-enylsulfanylethanamine
CID 134892228
prop-2-enylsulfanyl N,N-dimethylcarbamodithioate
CID 134988100
N-methyl-N-prop-2-enylsulfanylprop-2-en-1-amine
CID 87926217
N-[bis(dimethylamino)-prop-2-enyl-lambda4-sulfanyl]-N-methylmethanamine
CID 129213644
N-[(1Z)-buta-1,3-dienyl]sulfanyl-N-methylmethanamine
CID 138478252
buta-1,3-diene;ethane;N-ethenylsulfanyl-N-methylmethanamine
CID 143706238
methyl-[(Z)-prop-1-enyl]sulfanylazanide;rhenium
CID 163715943
N-[dimethyl(prop-2-enyl)-lambda4-sulfanyl]-N-methylmethanamine
CID 170210005
Azane;trimethyl(prop-2-enylsulfanyl)azanium
CID 174540922

Frequently Asked Questions

What is the IUPAC name of trimethyl(prop-2-enylsulfanyl)azanium?
The IUPAC name of trimethyl(prop-2-enylsulfanyl)azanium (CID 174540923) is trimethyl(prop-2-enylsulfanyl)azanium.
What is the SMILES notation for trimethyl(prop-2-enylsulfanyl)azanium?
The canonical SMILES for trimethyl(prop-2-enylsulfanyl)azanium is C=CCS[N+](C)(C)C.
What is the InChIKey of trimethyl(prop-2-enylsulfanyl)azanium?
The InChIKey is GKDXQVDEPLSXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NS/c1-5-6-8-7(2,3)4/h5H,1,6H2,2-4H3/q+1.
What are the key properties of trimethyl(prop-2-enylsulfanyl)azanium?
trimethyl(prop-2-enylsulfanyl)azanium has a molecular weight of 132.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enylsulfanyl)azanium is sourced from PubChem (CID 174540923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).