2-(diethylcarbamothioyloxy)ethyl-trimethylazanium

C10H23N2OS+ — CID 88526633

IUPAC2-(diethylcarbamothioyloxy)ethyl-trimethylazanium
SMILESCCN(CC)C(=S)OCC[N+](C)(C)C
InChIInChI=1S/C10H23N2OS/c1-6-11(7-2)10(14)13-9-8-12(3,4)5/h6-9H2,1-5H3/q+1
InChIKeyFMGHCUQCXNYLOT-UHFFFAOYSA-N
MW219.37 g/mol
LogP1.34
Rot. Bonds5

About 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium

2-(diethylcarbamothioyloxy)ethyl-trimethylazanium (PubChem CID 88526633) has the molecular formula C10H23N2OS+ and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(diethylcarbamothioyloxy)ethyl-trimethylazanium
PubChem CID88526633
Molecular FormulaC10H23N2OS+
Molecular Weight219.37 g/mol
Exact Mass219.15
IUPAC Name2-(diethylcarbamothioyloxy)ethyl-trimethylazanium
SMILESCCN(CC)C(=S)OCC[N+](C)(C)C
InChIInChI=1S/C10H23N2OS/c1-6-11(7-2)10(14)13-9-8-12(3,4)5/h6-9H2,1-5H3/q+1
InChIKeyFMGHCUQCXNYLOT-UHFFFAOYSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium 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

O-propyl N-butyl-N-ethylcarbamothioate
CID 19870866
O-[[4-(diethylcarbamothioyloxymethyl)phenyl]methyl] N,N-diethylcarbamothioate
CID 88619040
O-(diethylcarbamothioyloxyselanyl) N,N-diethylcarbamothioate
CID 140514476
O-(6,6-difluoro-5-methylhex-3-enyl) N,N-diethylcarbamothioate
CID 173145927
carbamic acid;carbamothioic S-acid;O-ethyl N,N-diethylcarbamothioate
CID 174420306
2-acetyloxyethyl(trimethyl)azanium bromide
CID 547020
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
carbamothioic S-acid;O-(2-phenylethyl) N,N-diethylcarbamothioate
CID 87217937
N,N-diethylcarbamodithioate
CID 28343
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
CID 158732412
CID 158732412

Frequently Asked Questions

What is the IUPAC name of 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium?
The IUPAC name of 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium (CID 88526633) is 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium is CCN(CC)C(=S)OCC[N+](C)(C)C.
What is the InChIKey of 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium?
The InChIKey is FMGHCUQCXNYLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2OS/c1-6-11(7-2)10(14)13-9-8-12(3,4)5/h6-9H2,1-5H3/q+1.
What are the key properties of 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium?
2-(diethylcarbamothioyloxy)ethyl-trimethylazanium has a molecular weight of 219.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylcarbamothioyloxy)ethyl-trimethylazanium is sourced from PubChem (CID 88526633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).