O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride

C6H15ClN2OS — CID 24836295

IUPACO-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride
SMILESCNC(=S)OCCN(C)C.Cl
InChIInChI=1S/C6H14N2OS.ClH/c1-7-6(10)9-5-4-8(2)3;/h4-5H2,1-3H3,(H,7,10);1H
InChIKeyDFGUBKNIKZPBIX-UHFFFAOYSA-N
MW198.72 g/mol
LogP0.49
Rot. Bonds3

About O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride

O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride (PubChem CID 24836295) has the molecular formula C6H15ClN2OS and a molecular weight of 198.72 g/mol. Its IUPAC name is O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride.

Molecular Properties

Compound NameO-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride
PubChem CID24836295
Molecular FormulaC6H15ClN2OS
Molecular Weight198.72 g/mol
Exact Mass198.06
IUPAC NameO-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride
SMILESCNC(=S)OCCN(C)C.Cl
InChIInChI=1S/C6H14N2OS.ClH/c1-7-6(10)9-5-4-8(2)3;/h4-5H2,1-3H3,(H,7,10);1H
InChIKeyDFGUBKNIKZPBIX-UHFFFAOYSA-N
XLogP0.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Choline, iodide, methylthiocarbamate, hydrate
CID 24836779
Trimethyl-[2-(methylcarbamothioyloxy)ethyl]azanium
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O-[2-(dimethylamino)ethyl] carbamothioate
CID 54057640
O-methyl N-(2-methoxyethyl)carbamothioate
CID 59253649
O-[2-(diethylamino)ethyl] N-methylcarbamothioate
CID 139325465
O-[2-(ethylamino)ethyl] carbamothioate
CID 154182859
azanium N-(2-methoxyethyl)carbamodithioate
CID 161077623
2-Carbamothioyloxyethylcarbamodithioic acid
CID 172800881
CID 176222608
CID 176222608
O-[2-(methylamino)ethyl] carbamothioate
CID 176222609
CID 176222634
CID 176222634
O-[2-(dimethylamino)ethyl] N-methylcarbamothioate
CID 13171477

Frequently Asked Questions

What is the IUPAC name of O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride?
The IUPAC name of O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride (CID 24836295) is O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride.
What is the SMILES notation for O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride?
The canonical SMILES for O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride is CNC(=S)OCCN(C)C.Cl.
What is the InChIKey of O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride?
The InChIKey is DFGUBKNIKZPBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS.ClH/c1-7-6(10)9-5-4-8(2)3;/h4-5H2,1-3H3,(H,7,10);1H.
What are the key properties of O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride?
O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride has a molecular weight of 198.72 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(dimethylamino)ethyl] N-methylcarbamothioate;hydrochloride is sourced from PubChem (CID 24836295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).