N',N'-diethyl-2-morpholin-4-ylpropanedithioamide

C11H21N3OS2 — CID 163986244

IUPACN',N'-diethyl-2-morpholin-4-ylpropanedithioamide
SMILESCCN(CC)C(=S)C(C(N)=S)N1CCOCC1
InChIInChI=1S/C11H21N3OS2/c1-3-13(4-2)11(17)9(10(12)16)14-5-7-15-8-6-14/h9H,3-8H2,1-2H3,(H2,12,16)
InChIKeyTWPOFDSUBPMIGF-UHFFFAOYSA-N
MW275.44 g/mol
LogP0.64
Rot. Bonds5

About N',N'-diethyl-2-morpholin-4-ylpropanedithioamide

N',N'-diethyl-2-morpholin-4-ylpropanedithioamide (PubChem CID 163986244) has the molecular formula C11H21N3OS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is N',N'-diethyl-2-morpholin-4-ylpropanedithioamide.

Molecular Properties

Compound NameN',N'-diethyl-2-morpholin-4-ylpropanedithioamide
PubChem CID163986244
Molecular FormulaC11H21N3OS2
Molecular Weight275.44 g/mol
Exact Mass275.11
IUPAC NameN',N'-diethyl-2-morpholin-4-ylpropanedithioamide
SMILESCCN(CC)C(=S)C(C(N)=S)N1CCOCC1
InChIInChI=1S/C11H21N3OS2/c1-3-13(4-2)11(17)9(10(12)16)14-5-7-15-8-6-14/h9H,3-8H2,1-2H3,(H2,12,16)
InChIKeyTWPOFDSUBPMIGF-UHFFFAOYSA-N
XLogP0.64
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,4-oxazepan-4-yl)butanethioamide
CID 62988867
3-ethyl-2-morpholin-4-ylpentanamide
CID 154739613
4-pentan-3-ylmorpholine
CID 641553
1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027017
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
3-amino-2-morpholin-4-ylpentan-1-ol
CID 104840278
1-morpholin-4-ylprop-2-enylthiourea
CID 87847320
bis(2-morpholin-4-ylpropanamide);hydrate
CID 175797150
morpholin-4-ylsulfanylthiourea
CID 14953327
N-ethyl-N-(2-ethylbutyl)morpholine-4-carboxamide
CID 115589059
4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79162161
N,N-diethyl-3-morpholin-4-ylpropanamide
CID 102409015

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-2-morpholin-4-ylpropanedithioamide?
The IUPAC name of N',N'-diethyl-2-morpholin-4-ylpropanedithioamide (CID 163986244) is N',N'-diethyl-2-morpholin-4-ylpropanedithioamide.
What is the SMILES notation for N',N'-diethyl-2-morpholin-4-ylpropanedithioamide?
The canonical SMILES for N',N'-diethyl-2-morpholin-4-ylpropanedithioamide is CCN(CC)C(=S)C(C(N)=S)N1CCOCC1.
What is the InChIKey of N',N'-diethyl-2-morpholin-4-ylpropanedithioamide?
The InChIKey is TWPOFDSUBPMIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS2/c1-3-13(4-2)11(17)9(10(12)16)14-5-7-15-8-6-14/h9H,3-8H2,1-2H3,(H2,12,16).
What are the key properties of N',N'-diethyl-2-morpholin-4-ylpropanedithioamide?
N',N'-diethyl-2-morpholin-4-ylpropanedithioamide has a molecular weight of 275.44 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-2-morpholin-4-ylpropanedithioamide is sourced from PubChem (CID 163986244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).