N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide

C14H28N2OS — CID 119940576

IUPACN-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(CC)(CC)CNC(=O)CC1CSCCN1
InChIInChI=1S/C14H28N2OS/c1-4-14(5-2,6-3)11-16-13(17)9-12-10-18-8-7-15-12/h12,15H,4-11H2,1-3H3,(H,16,17)
InChIKeyKVKZEKNHVBGCTB-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.41
Rot. Bonds7

About N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide

N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119940576) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119940576
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(CC)(CC)CNC(=O)CC1CSCCN1
InChIInChI=1S/C14H28N2OS/c1-4-14(5-2,6-3)11-16-13(17)9-12-10-18-8-7-15-12/h12,15H,4-11H2,1-3H3,(H,16,17)
InChIKeyKVKZEKNHVBGCTB-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
2-ethyl-2-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]butanoic acid
CID 115430291
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 114167326
N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
CID 106176913
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-thiomorpholin-3-ylacetamide
CID 114163723
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
ethyl 4-[(2-thiomorpholin-3-ylacetyl)amino]butanoate
CID 66419936

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide (CID 119940576) is N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide is CCC(CC)(CC)CNC(=O)CC1CSCCN1.
What is the InChIKey of N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is KVKZEKNHVBGCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-4-14(5-2,6-3)11-16-13(17)9-12-10-18-8-7-15-12/h12,15H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide?
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 272.46 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).