1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone

C18H27N3O3S2 — CID 97328826

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1)N1CCc2sccc2C1
InChIInChI=1S/C18H27N3O3S2/c22-18(21-8-3-17-14(11-21)4-9-25-17)12-20-6-1-15(2-7-20)19-16-5-10-26(23,24)13-16/h4,9,15-16,19H,1-3,5-8,10-13H2/t16-/m1/s1
InChIKeyYYNIPTZFPZOZCN-MRXNPFEDSA-N
MW397.57 g/mol
LogP0.87
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone (PubChem CID 97328826) has the molecular formula C18H27N3O3S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone
PubChem CID97328826
Molecular FormulaC18H27N3O3S2
Molecular Weight397.57 g/mol
Exact Mass397.15
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1)N1CCc2sccc2C1
InChIInChI=1S/C18H27N3O3S2/c22-18(21-8-3-17-14(11-21)4-9-25-17)12-20-6-1-15(2-7-20)19-16-5-10-26(23,24)13-16/h4,9,15-16,19H,1-3,5-8,10-13H2/t16-/m1/s1
InChIKeyYYNIPTZFPZOZCN-MRXNPFEDSA-N
XLogP0.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 119926401
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119922344
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 18142476
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86915991
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
1-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 86868063
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 120774905
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921660
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butane-1,4-dione
CID 55870828
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone (CID 97328826) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone is O=C(CN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is YYNIPTZFPZOZCN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O3S2/c22-18(21-8-3-17-14(11-21)4-9-25-17)12-20-6-1-15(2-7-20)19-16-5-10-26(23,24)13-16/h4,9,15-16,19H,1-3,5-8,10-13H2/t16-/m1/s1.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 397.57 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 97328826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).