N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide

C11H18N4OS — CID 113269028

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1ncc[nH]1
InChIInChI=1S/C11H18N4OS/c16-11(7-9-8-17-6-5-12-9)15-2-1-10-13-3-4-14-10/h3-4,9,12H,1-2,5-8H2,(H,13,14)(H,15,16)
InChIKeyJMBPLHLNIPXMGQ-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.16
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 113269028) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID113269028
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1ncc[nH]1
InChIInChI=1S/C11H18N4OS/c16-11(7-9-8-17-6-5-12-9)15-2-1-10-13-3-4-14-10/h3-4,9,12H,1-2,5-8H2,(H,13,14)(H,15,16)
InChIKeyJMBPLHLNIPXMGQ-UHFFFAOYSA-N
XLogP0.16
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940828
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
CID 82916761
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942335
N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 114110925
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119935250
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938917
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 113269028) is N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is JMBPLHLNIPXMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c16-11(7-9-8-17-6-5-12-9)15-2-1-10-13-3-4-14-10/h3-4,9,12H,1-2,5-8H2,(H,13,14)(H,15,16).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 254.36 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 113269028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).