4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide

C11H21N3O2S — CID 79681028

IUPAC4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CCN2CCOCC2)CCO1
InChIInChI=1S/C11H21N3O2S/c12-11(17)10-9-14(5-8-16-10)2-1-13-3-6-15-7-4-13/h10H,1-9H2,(H2,12,17)
InChIKeyUOULRKODLYBFQV-UHFFFAOYSA-N
MW259.37 g/mol
LogP-0.69
Rot. Bonds4

About 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide

4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide (PubChem CID 79681028) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
PubChem CID79681028
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CCN2CCOCC2)CCO1
InChIInChI=1S/C11H21N3O2S/c12-11(17)10-9-14(5-8-16-10)2-1-13-3-6-15-7-4-13/h10H,1-9H2,(H2,12,17)
InChIKeyUOULRKODLYBFQV-UHFFFAOYSA-N
XLogP-0.69
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxypropyl)morpholine-2-carbothioamide
CID 79681555
4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
4-nonylmorpholine-2-carbothioamide
CID 79681304
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
CID 79681740
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
4-(4-phenylbutyl)morpholine-2-carbothioamide
CID 114333646
4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide
CID 79675027
4-[(1-methyltriazol-4-yl)methyl]morpholine-2-carbothioamide
CID 107042983
4-[(4-iodophenyl)methyl]morpholine-2-carbothioamide
CID 79680838
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide (CID 79681028) is 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide is NC(=S)C1CN(CCN2CCOCC2)CCO1.
What is the InChIKey of 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide?
The InChIKey is UOULRKODLYBFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c12-11(17)10-9-14(5-8-16-10)2-1-13-3-6-15-7-4-13/h10H,1-9H2,(H2,12,17).
What are the key properties of 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide?
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide has a molecular weight of 259.37 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79681028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).