1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide

C15H23N3O3S2 — CID 75434529

IUPAC1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide
SMILESCC(C(=O)N1CCc2sccc2C1)N1CCC(S(N)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S2/c1-11(17-6-2-13(3-7-17)23(16,20)21)15(19)18-8-4-14-12(10-18)5-9-22-14/h5,9,11,13H,2-4,6-8,10H2,1H3,(H2,16,20,21)
InChIKeyOXJDPXLOTFOSOL-UHFFFAOYSA-N
MW357.50 g/mol
LogP0.77
Rot. Bonds3

About 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide

1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide (PubChem CID 75434529) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide
PubChem CID75434529
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide
SMILESCC(C(=O)N1CCc2sccc2C1)N1CCC(S(N)(=O)=O)CC1
InChIInChI=1S/C15H23N3O3S2/c1-11(17-6-2-13(3-7-17)23(16,20)21)15(19)18-8-4-14-12(10-18)5-9-22-14/h5,9,11,13H,2-4,6-8,10H2,1H3,(H2,16,20,21)
InChIKeyOXJDPXLOTFOSOL-UHFFFAOYSA-N
XLogP0.77
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide?
The IUPAC name of 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide (CID 75434529) is 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide?
The canonical SMILES for 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide is CC(C(=O)N1CCc2sccc2C1)N1CCC(S(N)(=O)=O)CC1.
What is the InChIKey of 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide?
The InChIKey is OXJDPXLOTFOSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-11(17-6-2-13(3-7-17)23(16,20)21)15(19)18-8-4-14-12(10-18)5-9-22-14/h5,9,11,13H,2-4,6-8,10H2,1H3,(H2,16,20,21).
What are the key properties of 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide?
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide has a molecular weight of 357.50 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide is sourced from PubChem (CID 75434529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).