3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide

C19H30N4O2S — CID 56707705

IUPAC3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cc(C3=CCN(CCN4CCCCC4)CC3)cn2)C1
InChIInChI=1S/C19H30N4O2S/c24-26(25)13-6-19(16-26)23-15-18(14-20-23)17-4-9-22(10-5-17)12-11-21-7-2-1-3-8-21/h4,14-15,19H,1-3,5-13,16H2
InChIKeyMSWFZLJLDZSQJK-UHFFFAOYSA-N
MW378.54 g/mol
LogP1.82
Rot. Bonds5

About 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide

3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide (PubChem CID 56707705) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide
PubChem CID56707705
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2cc(C3=CCN(CCN4CCCCC4)CC3)cn2)C1
InChIInChI=1S/C19H30N4O2S/c24-26(25)13-6-19(16-26)23-15-18(14-20-23)17-4-9-22(10-5-17)12-11-21-7-2-1-3-8-21/h4,14-15,19H,1-3,5-13,16H2
InChIKeyMSWFZLJLDZSQJK-UHFFFAOYSA-N
XLogP1.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidin-2-one
CID 56703117
4-[1-(1,1-dioxidotetrahydro-3-thienyl)-1H-pyrazol-4-yl]-1-(2-phenylethyl)-1,2,3,6-tetrahydropyridine
CID 56721918
(4aS,7aR)-1-benzyl-4-[(1-ethylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 164631979
1-(3-fluoropropyl)-4-[1-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyridine
CID 50968753
(3S)-3-[4-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]-3-methylthiolane 1,1-dioxide
CID 95131075
(3R)-3-[4-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]-3-methylthiolane 1,1-dioxide
CID 95131076
4-[4-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]butanamide
CID 56714448
4-[1-(1,1-dioxidotetrahydro-3-thienyl)-1H-pyrazol-4-yl]-1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridine
CID 56716959
(4aR*,7aS*)-1-benzyl-4-[(1-ethyl-1H-pyrazol-4-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70743884
4-[1-[3-(1-Methylpyrazol-4-yl)propyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 86794895
(3R)-3-[4-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide
CID 95216513
(3S)-3-[4-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide
CID 95216514

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide (CID 56707705) is 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(n2cc(C3=CCN(CCN4CCCCC4)CC3)cn2)C1.
What is the InChIKey of 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide?
The InChIKey is MSWFZLJLDZSQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c24-26(25)13-6-19(16-26)23-15-18(14-20-23)17-4-9-22(10-5-17)12-11-21-7-2-1-3-8-21/h4,14-15,19H,1-3,5-13,16H2.
What are the key properties of 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide?
3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide has a molecular weight of 378.54 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]pyrazol-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 56707705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).