4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide

C9H17N3O4S2 — CID 79675027

IUPAC4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)N2CCOCC2)CCO1
InChIInChI=1S/C9H17N3O4S2/c10-9(17)8-7-12(3-6-16-8)18(13,14)11-1-4-15-5-2-11/h8H,1-7H2,(H2,10,17)
InChIKeyFSAJTSQECPHHNU-UHFFFAOYSA-N
MW295.39 g/mol
LogP-1.45
Rot. Bonds3

About 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide

4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide (PubChem CID 79675027) has the molecular formula C9H17N3O4S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide
PubChem CID79675027
Molecular FormulaC9H17N3O4S2
Molecular Weight295.39 g/mol
Exact Mass295.07
IUPAC Name4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)N2CCOCC2)CCO1
InChIInChI=1S/C9H17N3O4S2/c10-9(17)8-7-12(3-6-16-8)18(13,14)11-1-4-15-5-2-11/h8H,1-7H2,(H2,10,17)
InChIKeyFSAJTSQECPHHNU-UHFFFAOYSA-N
XLogP-1.45
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-1.45
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-(dimethylsulfamoyl)morpholine-2-carbothioamide
CID 79674162
(2S)-4-piperidin-1-ylsulfonylmorpholine-2-carboxamide
CID 94381384
4-(benzenesulfonyl)morpholine-2-carbothioamide
CID 79674762
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide
CID 79674681
methyl 3-(2-carbamothioylmorpholin-4-yl)sulfonylpropanoate
CID 79680830
4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79675206
4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide
CID 49460924
4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79674677
(2R)-2-ethyl-4-morpholin-4-ylsulfonylmorpholine
CID 95288562
methyl 4-(2-carbamothioylmorpholin-4-yl)sulfonylbutanoate
CID 79675025
4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide
CID 107161272

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide?
The IUPAC name of 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide (CID 79675027) is 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide?
The canonical SMILES for 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide is NC(=S)C1CN(S(=O)(=O)N2CCOCC2)CCO1.
What is the InChIKey of 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide?
The InChIKey is FSAJTSQECPHHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S2/c10-9(17)8-7-12(3-6-16-8)18(13,14)11-1-4-15-5-2-11/h8H,1-7H2,(H2,10,17).
What are the key properties of 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide?
4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide has a molecular weight of 295.39 g/mol, XLogP of -1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide is sourced from PubChem (CID 79675027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).