N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide

C11H22N2O3S — CID 114163687

IUPACN-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
SMILESCOCC(O)CCNC(=O)CC1CSCCN1
InChIInChI=1S/C11H22N2O3S/c1-16-7-10(14)2-3-13-11(15)6-9-8-17-5-4-12-9/h9-10,12,14H,2-8H2,1H3,(H,13,15)
InChIKeySLFTVMWXUMONIW-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.40
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide

N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 114163687) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
PubChem CID114163687
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
SMILESCOCC(O)CCNC(=O)CC1CSCCN1
InChIInChI=1S/C11H22N2O3S/c1-16-7-10(14)2-3-13-11(15)6-9-8-17-5-4-12-9/h9-10,12,14H,2-8H2,1H3,(H,13,15)
InChIKeySLFTVMWXUMONIW-UHFFFAOYSA-N
XLogP-0.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 106247356
N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940421
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-thiomorpholin-3-ylacetamide
CID 119941360
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 114467849
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937188
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
2-cyclobutyl-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877418
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide (CID 114163687) is N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide is COCC(O)CCNC(=O)CC1CSCCN1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is SLFTVMWXUMONIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-16-7-10(14)2-3-13-11(15)6-9-8-17-5-4-12-9/h9-10,12,14H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide?
N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 262.37 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 114163687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).