(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone

C17H21N3OS2 — CID 163346136

IUPAC(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2nccc3sccc23)C1)N1CCSCC1
InChIInChI=1S/C17H21N3OS2/c21-17(19-7-10-22-11-8-19)13-2-1-6-20(12-13)16-14-4-9-23-15(14)3-5-18-16/h3-5,9,13H,1-2,6-8,10-12H2
InChIKeyBNXNOXVDLNSPKF-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.09
Rot. Bonds2

About (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone

(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone (PubChem CID 163346136) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
PubChem CID163346136
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC Name(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2nccc3sccc23)C1)N1CCSCC1
InChIInChI=1S/C17H21N3OS2/c21-17(19-7-10-22-11-8-19)13-2-1-6-20(12-13)16-14-4-9-23-15(14)3-5-18-16/h3-5,9,13H,1-2,6-8,10-12H2
InChIKeyBNXNOXVDLNSPKF-UHFFFAOYSA-N
XLogP3.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396546
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
CID 92885175
[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 50839504
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396512
[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163343452
piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
CID 166601294
(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885123
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054
N-(3,4-difluorophenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396555
(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone
CID 163346052
N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396524

Frequently Asked Questions

What is the IUPAC name of (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone (CID 163346136) is (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone is O=C(C1CCCN(c2nccc3sccc23)C1)N1CCSCC1.
What is the InChIKey of (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is BNXNOXVDLNSPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2/c21-17(19-7-10-22-11-8-19)13-2-1-6-20(12-13)16-14-4-9-23-15(14)3-5-18-16/h3-5,9,13H,1-2,6-8,10-12H2.
What are the key properties of (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone?
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 347.51 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163346136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).