2-methyl-3-thiomorpholin-4-ylpropanethioamide

C8H16N2S2 — CID 43367812

IUPAC2-methyl-3-thiomorpholin-4-ylpropanethioamide
SMILESCC(CN1CCSCC1)C(N)=S
InChIInChI=1S/C8H16N2S2/c1-7(8(9)11)6-10-2-4-12-5-3-10/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyGVCWLKVBVHKRGE-UHFFFAOYSA-N
MW204.36 g/mol
LogP0.96
Rot. Bonds3

About 2-methyl-3-thiomorpholin-4-ylpropanethioamide

2-methyl-3-thiomorpholin-4-ylpropanethioamide (PubChem CID 43367812) has the molecular formula C8H16N2S2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-methyl-3-thiomorpholin-4-ylpropanethioamide.

Molecular Properties

Compound Name2-methyl-3-thiomorpholin-4-ylpropanethioamide
PubChem CID43367812
Molecular FormulaC8H16N2S2
Molecular Weight204.36 g/mol
Exact Mass204.08
IUPAC Name2-methyl-3-thiomorpholin-4-ylpropanethioamide
SMILESCC(CN1CCSCC1)C(N)=S
InChIInChI=1S/C8H16N2S2/c1-7(8(9)11)6-10-2-4-12-5-3-10/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyGVCWLKVBVHKRGE-UHFFFAOYSA-N
XLogP0.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-3-thiomorpholin-4-ylpropanethioamide 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

2-(2,2-Dimethylthiomorpholin-4-yl)ethanethioamide
CID 116404913
3,3,3-Trifluoro-2-(thiomorpholin-4-ylmethyl)propanethioamide
CID 103368509
2-[(2,6-Dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368741
3,3,3-Trifluoro-2-[(2-methylthiomorpholin-4-yl)methyl]propanethioamide
CID 103368829
2-[(2,3-Dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368832
2-[(2,2-Dimethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368833
2-[(2-Ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 113807862
4-Thiomorpholin-4-ylbutanethioamide
CID 28787437
3-Thiomorpholin-4-ylpropanethioamide
CID 28787445
3-Thiomorpholin-4-ylpentanethioamide
CID 43367808
2-Methyl-3-thiomorpholin-4-ylpropan-1-amine
CID 43530830
3-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
CID 43581490

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-thiomorpholin-4-ylpropanethioamide?
The IUPAC name of 2-methyl-3-thiomorpholin-4-ylpropanethioamide (CID 43367812) is 2-methyl-3-thiomorpholin-4-ylpropanethioamide.
What is the SMILES notation for 2-methyl-3-thiomorpholin-4-ylpropanethioamide?
The canonical SMILES for 2-methyl-3-thiomorpholin-4-ylpropanethioamide is CC(CN1CCSCC1)C(N)=S.
What is the InChIKey of 2-methyl-3-thiomorpholin-4-ylpropanethioamide?
The InChIKey is GVCWLKVBVHKRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S2/c1-7(8(9)11)6-10-2-4-12-5-3-10/h7H,2-6H2,1H3,(H2,9,11).
What are the key properties of 2-methyl-3-thiomorpholin-4-ylpropanethioamide?
2-methyl-3-thiomorpholin-4-ylpropanethioamide has a molecular weight of 204.36 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-thiomorpholin-4-ylpropanethioamide is sourced from PubChem (CID 43367812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).