N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide

C15H26N2OS — CID 119937227

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCC1CC2CCC1C2
InChIInChI=1S/C15H26N2OS/c18-15(9-14-10-19-6-5-16-14)17-4-3-13-8-11-1-2-12(13)7-11/h11-14,16H,1-10H2,(H,17,18)
InChIKeyOAYLUYFPPZRDPN-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119937227) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119937227
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCC1CC2CCC1C2
InChIInChI=1S/C15H26N2OS/c18-15(9-14-10-19-6-5-16-14)17-4-3-13-8-11-1-2-12(13)7-11/h11-14,16H,1-10H2,(H,17,18)
InChIKeyOAYLUYFPPZRDPN-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934993
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
CID 106176913
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
N-(thian-2-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 80600876

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119937227) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCC1CC2CCC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is OAYLUYFPPZRDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c18-15(9-14-10-19-6-5-16-14)17-4-3-13-8-11-1-2-12(13)7-11/h11-14,16H,1-10H2,(H,17,18).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 282.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).