N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide

C14H25N3O3S — CID 119940120

IUPACN-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(NC(=O)CC1CSCCN1)C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O3S/c1-2-12(14(19)17-4-6-20-7-5-17)16-13(18)9-11-10-21-8-3-15-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyNRQXBBVKCUFZCL-UHFFFAOYSA-N
MW315.44 g/mol
LogP-0.16
Rot. Bonds5

About N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide

N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119940120) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119940120
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(NC(=O)CC1CSCCN1)C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O3S/c1-2-12(14(19)17-4-6-20-7-5-17)16-13(18)9-11-10-21-8-3-15-11/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyNRQXBBVKCUFZCL-UHFFFAOYSA-N
XLogP-0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66422411
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937483
N-(3-methyl-2-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940987
N-(4-morpholin-4-ylbutyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941285
(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120637145
4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420292
dimethyl 2-[(2-thiomorpholin-3-ylacetyl)amino]butanedioate
CID 119938524
N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide
CID 66420236
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936357
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 66421232

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide (CID 119940120) is N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide is CCC(NC(=O)CC1CSCCN1)C(=O)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is NRQXBBVKCUFZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-2-12(14(19)17-4-6-20-7-5-17)16-13(18)9-11-10-21-8-3-15-11/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 315.44 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).