6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide

C8H16N2O2S — CID 114776562

IUPAC6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
SMILESCC1(C)CN(C(N)=S)CC(CO)O1
InChIInChI=1S/C8H16N2O2S/c1-8(2)5-10(7(9)13)3-6(4-11)12-8/h6,11H,3-5H2,1-2H3,(H2,9,13)
InChIKeyKZPDVPCDKKFGOI-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.30
Rot. Bonds1

About 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide

6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide (PubChem CID 114776562) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
PubChem CID114776562
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
SMILESCC1(C)CN(C(N)=S)CC(CO)O1
InChIInChI=1S/C8H16N2O2S/c1-8(2)5-10(7(9)13)3-6(4-11)12-8/h6,11H,3-5H2,1-2H3,(H2,9,13)
InChIKeyKZPDVPCDKKFGOI-UHFFFAOYSA-N
XLogP-0.30
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide
CID 114780390
N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776563
3-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 114778938
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
(3-aminocyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776790
[1-(aminomethyl)cyclopentyl]-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776550
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775
N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 114776829
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide
CID 104969920
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide?
The IUPAC name of 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide (CID 114776562) is 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide.
What is the SMILES notation for 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide?
The canonical SMILES for 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide is CC1(C)CN(C(N)=S)CC(CO)O1.
What is the InChIKey of 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide?
The InChIKey is KZPDVPCDKKFGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-8(2)5-10(7(9)13)3-6(4-11)12-8/h6,11H,3-5H2,1-2H3,(H2,9,13).
What are the key properties of 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide?
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide has a molecular weight of 204.29 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 114776562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).