N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide

C15H23N3OS2 — CID 119941544

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCN1CCc2sccc2C1
InChIInChI=1S/C15H23N3OS2/c19-15(9-13-11-20-8-4-16-13)17-3-6-18-5-1-14-12(10-18)2-7-21-14/h2,7,13,16H,1,3-6,8-11H2,(H,17,19)
InChIKeyPKKCISFKYXLZHH-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941544) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941544
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCN1CCc2sccc2C1
InChIInChI=1S/C15H23N3OS2/c19-15(9-13-11-20-8-4-16-13)17-3-6-18-5-1-14-12(10-18)2-7-21-14/h2,7,13,16H,1,3-6,8-11H2,(H,17,19)
InChIKeyPKKCISFKYXLZHH-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081384
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119941252
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thiomorpholin-3-ylacetamide
CID 119941212
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
CID 120612672
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60569299
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]acetamide
CID 35484743

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119941544) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCN1CCc2sccc2C1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is PKKCISFKYXLZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c19-15(9-13-11-20-8-4-16-13)17-3-6-18-5-1-14-12(10-18)2-7-21-14/h2,7,13,16H,1,3-6,8-11H2,(H,17,19).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 325.50 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).