2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide

C7H14N2O4S2 — CID 81203136

IUPAC2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide
SMILESNC(=S)CS(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C7H14N2O4S2/c8-7(14)5-15(11,12)9-1-2-13-6(3-9)4-10/h6,10H,1-5H2,(H2,8,14)
InChIKeyLJIPIGUHTNVXSX-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.70
Rot. Bonds4

About 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide

2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide (PubChem CID 81203136) has the molecular formula C7H14N2O4S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide
PubChem CID81203136
Molecular FormulaC7H14N2O4S2
Molecular Weight254.33 g/mol
Exact Mass254.04
IUPAC Name2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide
SMILESNC(=S)CS(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C7H14N2O4S2/c8-7(14)5-15(11,12)9-1-2-13-6(3-9)4-10/h6,10H,1-5H2,(H2,8,14)
InChIKeyLJIPIGUHTNVXSX-UHFFFAOYSA-N
XLogP-1.70
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanol
CID 82843048
(4-cyclopentylsulfonylmorpholin-2-yl)methanol
CID 115755555
2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylbenzenecarbothioamide
CID 81202964
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylethanethioamide
CID 114797660
2-ethyl-4-ethylsulfonylmorpholine
CID 61356514
[4-(piperidin-3-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81205073
3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide
CID 81203856
4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide
CID 79674681
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843
3-[[2-(hydroxymethyl)morpholin-4-yl]sulfonylmethyl]benzoic acid
CID 81193587
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839
3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 81208935

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide?
The IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide (CID 81203136) is 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide?
The canonical SMILES for 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide is NC(=S)CS(=O)(=O)N1CCOC(CO)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide?
The InChIKey is LJIPIGUHTNVXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S2/c8-7(14)5-15(11,12)9-1-2-13-6(3-9)4-10/h6,10H,1-5H2,(H2,8,14).
What are the key properties of 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide?
2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide has a molecular weight of 254.33 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide is sourced from PubChem (CID 81203136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).