2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide

C7H14N2O2S — CID 81204075

IUPAC2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
SMILESCC1COC(CO)CN1C(N)=S
InChIInChI=1S/C7H14N2O2S/c1-5-4-11-6(3-10)2-9(5)7(8)12/h5-6,10H,2-4H2,1H3,(H2,8,12)
InChIKeyTZPBAHJPAPLQQZ-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.69
Rot. Bonds1

About 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide

2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide (PubChem CID 81204075) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
PubChem CID81204075
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
SMILESCC1COC(CO)CN1C(N)=S
InChIInChI=1S/C7H14N2O2S/c1-5-4-11-6(3-10)2-9(5)7(8)12/h5-6,10H,2-4H2,1H3,(H2,8,12)
InChIKeyTZPBAHJPAPLQQZ-UHFFFAOYSA-N
XLogP-0.69
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
CID 81213883
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pentanethioamide
CID 81203582
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cycloheptane-1-carbothioamide
CID 81194882
(4-ethanimidoyl-5-methylmorpholin-2-yl)methanol
CID 81212956
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
[(2S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290710
[(2R,5S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155291691
[(2S,5R)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290635
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide?
The IUPAC name of 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide (CID 81204075) is 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide.
What is the SMILES notation for 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide?
The canonical SMILES for 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide is CC1COC(CO)CN1C(N)=S.
What is the InChIKey of 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide?
The InChIKey is TZPBAHJPAPLQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-5-4-11-6(3-10)2-9(5)7(8)12/h5-6,10H,2-4H2,1H3,(H2,8,12).
What are the key properties of 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide?
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide has a molecular weight of 190.27 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide is sourced from PubChem (CID 81204075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).