2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide

C14H28N2OS — CID 65259892

IUPAC2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide
SMILESCC1CN(CCCC(C)(C)C(N)=S)CC(C)(C)O1
InChIInChI=1S/C14H28N2OS/c1-11-9-16(10-14(4,5)17-11)8-6-7-13(2,3)12(15)18/h11H,6-10H2,1-5H3,(H2,15,18)
InChIKeyRXRFQKHTTQUYOJ-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.58
Rot. Bonds5

About 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide

2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide (PubChem CID 65259892) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide
PubChem CID65259892
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide
SMILESCC1CN(CCCC(C)(C)C(N)=S)CC(C)(C)O1
InChIInChI=1S/C14H28N2OS/c1-11-9-16(10-14(4,5)17-11)8-6-7-13(2,3)12(15)18/h11H,6-10H2,1-5H3,(H2,15,18)
InChIKeyRXRFQKHTTQUYOJ-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide?
The IUPAC name of 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide (CID 65259892) is 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide.
What is the SMILES notation for 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide?
The canonical SMILES for 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide is CC1CN(CCCC(C)(C)C(N)=S)CC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide?
The InChIKey is RXRFQKHTTQUYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-11-9-16(10-14(4,5)17-11)8-6-7-13(2,3)12(15)18/h11H,6-10H2,1-5H3,(H2,15,18).
What are the key properties of 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide?
2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide has a molecular weight of 272.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentanethioamide is sourced from PubChem (CID 65259892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).