O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate

C8H16N2O2S — CID 87439577

IUPACO-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate
SMILESCN(C)C(=S)OCN1CCOCC1
InChIInChI=1S/C8H16N2O2S/c1-9(2)8(13)12-7-10-3-5-11-6-4-10/h3-7H2,1-2H3
InChIKeyGRLAKVDSAQJMNW-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.14
Rot. Bonds2

About O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate

O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate (PubChem CID 87439577) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameO-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate
PubChem CID87439577
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameO-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate
SMILESCN(C)C(=S)OCN1CCOCC1
InChIInChI=1S/C8H16N2O2S/c1-9(2)8(13)12-7-10-3-5-11-6-4-10/h3-7H2,1-2H3
InChIKeyGRLAKVDSAQJMNW-UHFFFAOYSA-N
XLogP0.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-ylmethyl hexadecanoate
CID 86303252
4-(morpholin-4-ylmethoxy)-4-oxobut-2-enoic acid
CID 123954244
N,N-dimethylacetamide;ethane;4-ethylmorpholine
CID 164557325
4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane
CID 121452096
2,2-dimethyl-4-morpholin-4-ylbutanethioamide
CID 65247018
(3-morpholin-4-ylpropanethioylamino) 2-oxopropanoate;hydrochloride
CID 88823083
2-(dimethylamino)ethyl 3-morpholin-4-ylpropanoate
CID 21449218
2-(dimethylamino)ethanol;4-ethylmorpholine
CID 174947798
1-(morpholin-4-ylmethoxy)ethoxyphosphane
CID 18713640
4-(morpholin-4-ylmethyl)morpholine
CID 21839
2-N-methyl-2-N-(2-morpholin-4-ylethyl)propane-1,2-diamine;dihydrochloride
CID 119924809
4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine
CID 22403187

Frequently Asked Questions

What is the IUPAC name of O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate?
The IUPAC name of O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate (CID 87439577) is O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate.
What is the SMILES notation for O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate?
The canonical SMILES for O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate is CN(C)C(=S)OCN1CCOCC1.
What is the InChIKey of O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate?
The InChIKey is GRLAKVDSAQJMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-9(2)8(13)12-7-10-3-5-11-6-4-10/h3-7H2,1-2H3.
What are the key properties of O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate?
O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate has a molecular weight of 204.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate is sourced from PubChem (CID 87439577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).