N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide

C13H25N3O2S — CID 66420455

IUPACN,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNC(=O)CC1CSCCN1
InChIInChI=1S/C13H25N3O2S/c1-3-16(4-2)13(18)5-6-15-12(17)9-11-10-19-8-7-14-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyVCEWKTKLGCBDKL-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.46
Rot. Bonds7

About N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide

N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide (PubChem CID 66420455) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
PubChem CID66420455
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNC(=O)CC1CSCCN1
InChIInChI=1S/C13H25N3O2S/c1-3-16(4-2)13(18)5-6-15-12(17)9-11-10-19-8-7-14-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyVCEWKTKLGCBDKL-UHFFFAOYSA-N
XLogP0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-thiomorpholin-3-ylacetyl)amino]butanoate
CID 66419936
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide
CID 80516106
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
CID 119941212
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 114467849
N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940421

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide (CID 66420455) is N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide is CCN(CC)C(=O)CCNC(=O)CC1CSCCN1.
What is the InChIKey of N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
The InChIKey is VCEWKTKLGCBDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-3-16(4-2)13(18)5-6-15-12(17)9-11-10-19-8-7-14-11/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide?
N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide has a molecular weight of 287.43 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide is sourced from PubChem (CID 66420455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).