2-(2-carbamothioylmorpholin-4-yl)acetamide

C7H13N3O2S — CID 79680931

IUPAC2-(2-carbamothioylmorpholin-4-yl)acetamide
SMILESNC(=O)CN1CCOC(C(N)=S)C1
InChIInChI=1S/C7H13N3O2S/c8-6(11)4-10-1-2-12-5(3-10)7(9)13/h5H,1-4H2,(H2,8,11)(H2,9,13)
InChIKeyVJQWGWOMWRWYQJ-UHFFFAOYSA-N
MW203.27 g/mol
LogP-1.54
Rot. Bonds3

About 2-(2-carbamothioylmorpholin-4-yl)acetamide

2-(2-carbamothioylmorpholin-4-yl)acetamide (PubChem CID 79680931) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(2-carbamothioylmorpholin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioylmorpholin-4-yl)acetamide
PubChem CID79680931
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-(2-carbamothioylmorpholin-4-yl)acetamide
SMILESNC(=O)CN1CCOC(C(N)=S)C1
InChIInChI=1S/C7H13N3O2S/c8-6(11)4-10-1-2-12-5(3-10)7(9)13/h5H,1-4H2,(H2,8,11)(H2,9,13)
InChIKeyVJQWGWOMWRWYQJ-UHFFFAOYSA-N
XLogP-1.54
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide
CID 79681734
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
4-(3-hydroxypropyl)morpholine-2-carbothioamide
CID 79681555
4-nonylmorpholine-2-carbothioamide
CID 79681304
4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
4-[(4-iodophenyl)methyl]morpholine-2-carbothioamide
CID 79680838
2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163349226
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
CID 79681740
4-(4-phenylbutyl)morpholine-2-carbothioamide
CID 114333646
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylmorpholin-4-yl)acetamide?
The IUPAC name of 2-(2-carbamothioylmorpholin-4-yl)acetamide (CID 79680931) is 2-(2-carbamothioylmorpholin-4-yl)acetamide.
What is the SMILES notation for 2-(2-carbamothioylmorpholin-4-yl)acetamide?
The canonical SMILES for 2-(2-carbamothioylmorpholin-4-yl)acetamide is NC(=O)CN1CCOC(C(N)=S)C1.
What is the InChIKey of 2-(2-carbamothioylmorpholin-4-yl)acetamide?
The InChIKey is VJQWGWOMWRWYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-6(11)4-10-1-2-12-5(3-10)7(9)13/h5H,1-4H2,(H2,8,11)(H2,9,13).
What are the key properties of 2-(2-carbamothioylmorpholin-4-yl)acetamide?
2-(2-carbamothioylmorpholin-4-yl)acetamide has a molecular weight of 203.27 g/mol, XLogP of -1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylmorpholin-4-yl)acetamide is sourced from PubChem (CID 79680931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).