N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide

C16H20ClN5O3S2 — CID 39122749

IUPACN-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(Cl)nn1
InChIInChI=1S/C16H20ClN5O3S2/c1-21(14-5-4-13(17)18-19-14)11-15(23)22-8-6-12(7-9-22)20-27(24,25)16-3-2-10-26-16/h2-5,10,12,20H,6-9,11H2,1H3
InChIKeyOYXVKVSSNIGUQV-UHFFFAOYSA-N
MW429.96 g/mol
LogP1.60
Rot. Bonds6

About N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 39122749) has the molecular formula C16H20ClN5O3S2 and a molecular weight of 429.96 g/mol. Its IUPAC name is N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID39122749
Molecular FormulaC16H20ClN5O3S2
Molecular Weight429.96 g/mol
Exact Mass429.07
IUPAC NameN-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(Cl)nn1
InChIInChI=1S/C16H20ClN5O3S2/c1-21(14-5-4-13(17)18-19-14)11-15(23)22-8-6-12(7-9-22)20-27(24,25)16-3-2-10-26-16/h2-5,10,12,20H,6-9,11H2,1H3
InChIKeyOYXVKVSSNIGUQV-UHFFFAOYSA-N
XLogP1.60
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.96
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
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CID 17482603
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
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N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
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N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
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N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
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N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 39122749) is N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide is CN(CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(Cl)nn1.
What is the InChIKey of N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is OYXVKVSSNIGUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O3S2/c1-21(14-5-4-13(17)18-19-14)11-15(23)22-8-6-12(7-9-22)20-27(24,25)16-3-2-10-26-16/h2-5,10,12,20H,6-9,11H2,1H3.
What are the key properties of N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 429.96 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 39122749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).