3-(2,5-dimethylmorpholin-4-yl)propanethioamide

C9H18N2OS — CID 43544623

IUPAC3-(2,5-dimethylmorpholin-4-yl)propanethioamide
SMILESCC1CN(CCC(N)=S)C(C)CO1
InChIInChI=1S/C9H18N2OS/c1-7-6-12-8(2)5-11(7)4-3-9(10)13/h7-8H,3-6H2,1-2H3,(H2,10,13)
InChIKeyRJRBZVIBPNOZKD-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.77
Rot. Bonds3

About 3-(2,5-dimethylmorpholin-4-yl)propanethioamide

3-(2,5-dimethylmorpholin-4-yl)propanethioamide (PubChem CID 43544623) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholin-4-yl)propanethioamide.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholin-4-yl)propanethioamide
PubChem CID43544623
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-(2,5-dimethylmorpholin-4-yl)propanethioamide
SMILESCC1CN(CCC(N)=S)C(C)CO1
InChIInChI=1S/C9H18N2OS/c1-7-6-12-8(2)5-11(7)4-3-9(10)13/h7-8H,3-6H2,1-2H3,(H2,10,13)
InChIKeyRJRBZVIBPNOZKD-UHFFFAOYSA-N
XLogP0.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 43430768
4-(2-iodoethyl)-2,5-dimethylmorpholine
CID 130977867
3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanethioamide
CID 130863708
2-amino-4-(2,5-dimethylmorpholin-4-yl)butanamide
CID 63029627
ethyl 6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392282
ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392283
3-[(2S,5S)-2,5-dimethylmorpholin-4-yl]propanenitrile
CID 45088973
methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate
CID 43544788
1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol
CID 62624456
1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]piperidin-4-amine
CID 79327606
2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentan-1-amine
CID 79569935
2-amino-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 64798114

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)propanethioamide?
The IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)propanethioamide (CID 43544623) is 3-(2,5-dimethylmorpholin-4-yl)propanethioamide.
What is the SMILES notation for 3-(2,5-dimethylmorpholin-4-yl)propanethioamide?
The canonical SMILES for 3-(2,5-dimethylmorpholin-4-yl)propanethioamide is CC1CN(CCC(N)=S)C(C)CO1.
What is the InChIKey of 3-(2,5-dimethylmorpholin-4-yl)propanethioamide?
The InChIKey is RJRBZVIBPNOZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7-6-12-8(2)5-11(7)4-3-9(10)13/h7-8H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 3-(2,5-dimethylmorpholin-4-yl)propanethioamide?
3-(2,5-dimethylmorpholin-4-yl)propanethioamide has a molecular weight of 202.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholin-4-yl)propanethioamide is sourced from PubChem (CID 43544623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).