2-(2,3-dimethylmorpholin-4-yl)propanethioamide

C9H18N2OS — CID 131187038

IUPAC2-(2,3-dimethylmorpholin-4-yl)propanethioamide
SMILESCC1OCCN(C(C)C(N)=S)C1C
InChIInChI=1S/C9H18N2OS/c1-6-8(3)12-5-4-11(6)7(2)9(10)13/h6-8H,4-5H2,1-3H3,(H2,10,13)
InChIKeyDVDGKPOGYOUJQC-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.77
Rot. Bonds2

About 2-(2,3-dimethylmorpholin-4-yl)propanethioamide

2-(2,3-dimethylmorpholin-4-yl)propanethioamide (PubChem CID 131187038) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(2,3-dimethylmorpholin-4-yl)propanethioamide.

Molecular Properties

Compound Name2-(2,3-dimethylmorpholin-4-yl)propanethioamide
PubChem CID131187038
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-(2,3-dimethylmorpholin-4-yl)propanethioamide
SMILESCC1OCCN(C(C)C(N)=S)C1C
InChIInChI=1S/C9H18N2OS/c1-6-8(3)12-5-4-11(6)7(2)9(10)13/h6-8H,4-5H2,1-3H3,(H2,10,13)
InChIKeyDVDGKPOGYOUJQC-UHFFFAOYSA-N
XLogP0.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-dimethyl-4-propan-2-ylmorpholine
CID 59817853
3-amino-2-(2,3-dimethylmorpholin-4-yl)propan-1-ol
CID 131209513
2-(2,3-dimethylmorpholin-4-yl)ethanethioamide
CID 130816236
ethane;(2R)-2,3,4-trimethylmorpholine
CID 143986046
2-pyrrolidin-1-ylpropanethioamide
CID 20508430
2-[(4-methylmorpholin-2-yl)methylsulfamoyl]propanethioamide
CID 79072297
2,3-dimethylmorpholine-4-sulfinic acid
CID 89262144
(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone
CID 129436950
2-[(2-methyloxolan-3-yl)methylsulfamoyl]butanethioamide
CID 114105822
[(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate
CID 118118147
2-[4-(1,4-dioxane-2-carbonyl)piperazin-1-yl]propanethioamide
CID 63340503
3-(2,3-dimethylmorpholin-4-yl)propan-1-ol
CID 131152382

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylmorpholin-4-yl)propanethioamide?
The IUPAC name of 2-(2,3-dimethylmorpholin-4-yl)propanethioamide (CID 131187038) is 2-(2,3-dimethylmorpholin-4-yl)propanethioamide.
What is the SMILES notation for 2-(2,3-dimethylmorpholin-4-yl)propanethioamide?
The canonical SMILES for 2-(2,3-dimethylmorpholin-4-yl)propanethioamide is CC1OCCN(C(C)C(N)=S)C1C.
What is the InChIKey of 2-(2,3-dimethylmorpholin-4-yl)propanethioamide?
The InChIKey is DVDGKPOGYOUJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6-8(3)12-5-4-11(6)7(2)9(10)13/h6-8H,4-5H2,1-3H3,(H2,10,13).
What are the key properties of 2-(2,3-dimethylmorpholin-4-yl)propanethioamide?
2-(2,3-dimethylmorpholin-4-yl)propanethioamide has a molecular weight of 202.32 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylmorpholin-4-yl)propanethioamide is sourced from PubChem (CID 131187038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).