(1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone

C18H27N3O3S2 — CID 71800707

IUPAC(1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(CSc3ccccn3)CC2)CC1
InChIInChI=1S/C18H27N3O3S2/c1-26(23,24)21-12-7-16(8-13-21)18(22)20-10-5-15(6-11-20)14-25-17-4-2-3-9-19-17/h2-4,9,15-16H,5-8,10-14H2,1H3
InChIKeyKDIKNSRVGIYJOJ-UHFFFAOYSA-N
MW397.57 g/mol
LogP2.08
Rot. Bonds5

About (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone

(1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone (PubChem CID 71800707) has the molecular formula C18H27N3O3S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone
PubChem CID71800707
Molecular FormulaC18H27N3O3S2
Molecular Weight397.57 g/mol
Exact Mass397.15
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(CSc3ccccn3)CC2)CC1
InChIInChI=1S/C18H27N3O3S2/c1-26(23,24)21-12-7-16(8-13-21)18(22)20-10-5-15(6-11-20)14-25-17-4-2-3-9-19-17/h2-4,9,15-16H,5-8,10-14H2,1H3
InChIKeyKDIKNSRVGIYJOJ-UHFFFAOYSA-N
XLogP2.08
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone 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

[(1R)-cyclohex-3-en-1-yl]-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone
CID 97042338
2-benzylsulfanyl-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone
CID 71800682
(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 52906708
(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56724041
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide
CID 71800731
[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110357823
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 154576322
cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672481
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97433997
1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 78760913
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26013824

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone (CID 71800707) is (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC(CSc3ccccn3)CC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
The InChIKey is KDIKNSRVGIYJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S2/c1-26(23,24)21-12-7-16(8-13-21)18(22)20-10-5-15(6-11-20)14-25-17-4-2-3-9-19-17/h2-4,9,15-16H,5-8,10-14H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
(1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone has a molecular weight of 397.57 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71800707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).