1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide

C20H33N5O5S2 — CID 55835325

IUPAC1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H33N5O5S2/c1-2-16-32(29,30)25-11-6-4-7-18(25)20(26)22-10-17-31(27,28)24-14-12-23(13-15-24)19-8-3-5-9-21-19/h3,5,8-9,18H,2,4,6-7,10-17H2,1H3,(H,22,26)
InChIKeyHSXIISRHLDTERX-UHFFFAOYSA-N
MW487.65 g/mol
LogP0.24
Rot. Bonds9

About 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide

1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide (PubChem CID 55835325) has the molecular formula C20H33N5O5S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide
PubChem CID55835325
Molecular FormulaC20H33N5O5S2
Molecular Weight487.65 g/mol
Exact Mass487.19
IUPAC Name1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H33N5O5S2/c1-2-16-32(29,30)25-11-6-4-7-18(25)20(26)22-10-17-31(27,28)24-14-12-23(13-15-24)19-8-3-5-9-21-19/h3,5,8-9,18H,2,4,6-7,10-17H2,1H3,(H,22,26)
InChIKeyHSXIISRHLDTERX-UHFFFAOYSA-N
XLogP0.24
TPSA119.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopentyl-2-methyl-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]guanidine;hydroiodide
CID 110990770
1-propylsulfonyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 55618309
2-methyl-1-(4-methylcyclohexyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]guanidine;hydroiodide
CID 111256682
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
2-(2-ethoxyphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55838125
1-hexyl-2-methyl-3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]guanidine
CID 111162119
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide
CID 56585573
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide (CID 55835325) is 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide?
The InChIKey is HSXIISRHLDTERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O5S2/c1-2-16-32(29,30)25-11-6-4-7-18(25)20(26)22-10-17-31(27,28)24-14-12-23(13-15-24)19-8-3-5-9-21-19/h3,5,8-9,18H,2,4,6-7,10-17H2,1H3,(H,22,26).
What are the key properties of 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide?
1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 0.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide is sourced from PubChem (CID 55835325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).