2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide

C14H28N2OS — CID 102743969

IUPAC2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide
SMILESCC1(C)CN(CCC(C)(C)C(N)=S)CC(C)(C)O1
InChIInChI=1S/C14H28N2OS/c1-12(2,11(15)18)7-8-16-9-13(3,4)17-14(5,6)10-16/h7-10H2,1-6H3,(H2,15,18)
InChIKeyDHSGGTJZVZSEGO-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.58
Rot. Bonds4

About 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide

2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide (PubChem CID 102743969) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide
PubChem CID102743969
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide
SMILESCC1(C)CN(CCC(C)(C)C(N)=S)CC(C)(C)O1
InChIInChI=1S/C14H28N2OS/c1-12(2,11(15)18)7-8-16-9-13(3,4)17-14(5,6)10-16/h7-10H2,1-6H3,(H2,15,18)
InChIKeyDHSGGTJZVZSEGO-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide 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-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanimidamide
CID 102744138
2,2-dimethyl-4-(3,3,4-trimethylpiperazin-1-yl)butanethioamide
CID 65249097
2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102745123
1-amino-2-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102746437
2,2-dimethyl-4-morpholin-4-ylbutanethioamide
CID 65247018
4-(3,5-dioxopiperazin-1-yl)-2,2-dimethylbutanethioamide
CID 66084496
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanenitrile
CID 102743878
2-amino-2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-ol
CID 102746424
5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 65259698
5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 81098207
3-(2,2,6,6-tetramethylmorpholin-4-yl)propanimidamide
CID 102744123
4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102745117

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide?
The IUPAC name of 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide (CID 102743969) is 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide.
What is the SMILES notation for 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide?
The canonical SMILES for 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide is CC1(C)CN(CCC(C)(C)C(N)=S)CC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide?
The InChIKey is DHSGGTJZVZSEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-12(2,11(15)18)7-8-16-9-13(3,4)17-14(5,6)10-16/h7-10H2,1-6H3,(H2,15,18).
What are the key properties of 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide?
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide has a molecular weight of 272.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide is sourced from PubChem (CID 102743969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).