2,2-dimethyl-4-morpholin-4-ylbutanethioamide

C10H20N2OS — CID 65247018

IUPAC2,2-dimethyl-4-morpholin-4-ylbutanethioamide
SMILESCC(C)(CCN1CCOCC1)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-10(2,9(11)14)3-4-12-5-7-13-8-6-12/h3-8H2,1-2H3,(H2,11,14)
InChIKeyQFDPWSNCCSVEDG-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.02
Rot. Bonds4

About 2,2-dimethyl-4-morpholin-4-ylbutanethioamide

2,2-dimethyl-4-morpholin-4-ylbutanethioamide (PubChem CID 65247018) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-morpholin-4-ylbutanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-4-morpholin-4-ylbutanethioamide
PubChem CID65247018
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2,2-dimethyl-4-morpholin-4-ylbutanethioamide
SMILESCC(C)(CCN1CCOCC1)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-10(2,9(11)14)3-4-12-5-7-13-8-6-12/h3-8H2,1-2H3,(H2,11,14)
InChIKeyQFDPWSNCCSVEDG-UHFFFAOYSA-N
XLogP1.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.02
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

2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide
CID 102743969
2,2-dimethylpropyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 118259810
4-(3,5-dioxopiperazin-1-yl)-2,2-dimethylbutanethioamide
CID 66084496
2,2-dimethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanethioamide
CID 79174883
4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide
CID 65248821
5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 81098207
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-dimethoxyphosphinothioylsulfanylethyl 2,2-dimethyl-4-morpholin-4-ylbutanoate
CID 118262907

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-morpholin-4-ylbutanethioamide?
The IUPAC name of 2,2-dimethyl-4-morpholin-4-ylbutanethioamide (CID 65247018) is 2,2-dimethyl-4-morpholin-4-ylbutanethioamide.
What is the SMILES notation for 2,2-dimethyl-4-morpholin-4-ylbutanethioamide?
The canonical SMILES for 2,2-dimethyl-4-morpholin-4-ylbutanethioamide is CC(C)(CCN1CCOCC1)C(N)=S.
What is the InChIKey of 2,2-dimethyl-4-morpholin-4-ylbutanethioamide?
The InChIKey is QFDPWSNCCSVEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(2,9(11)14)3-4-12-5-7-13-8-6-12/h3-8H2,1-2H3,(H2,11,14).
What are the key properties of 2,2-dimethyl-4-morpholin-4-ylbutanethioamide?
2,2-dimethyl-4-morpholin-4-ylbutanethioamide has a molecular weight of 216.35 g/mol, XLogP of 1.02, 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-morpholin-4-ylbutanethioamide is sourced from PubChem (CID 65247018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).