N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide

C14H26N2OS — CID 119940566

IUPACN-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCCC1(CNC(=O)CC2CSCCN2)CCC1
InChIInChI=1S/C14H26N2OS/c1-2-4-14(5-3-6-14)11-16-13(17)9-12-10-18-8-7-15-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyQYZSIYAEVITBRE-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.17
Rot. Bonds6

About N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940566) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940566
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCCC1(CNC(=O)CC2CSCCN2)CCC1
InChIInChI=1S/C14H26N2OS/c1-2-4-14(5-3-6-14)11-16-13(17)9-12-10-18-8-7-15-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyQYZSIYAEVITBRE-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 119940566) is N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide is CCCC1(CNC(=O)CC2CSCCN2)CCC1.
What is the InChIKey of N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is QYZSIYAEVITBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-4-14(5-3-6-14)11-16-13(17)9-12-10-18-8-7-15-12/h12,15H,2-11H2,1H3,(H,16,17).
What are the key properties of N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 270.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).