6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide

C16H28N4O3S — CID 60578931

IUPAC6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(N2CCN(CCO)CC2)nc1
InChIInChI=1S/C16H28N4O3S/c1-3-4-14(2)18-24(22,23)15-5-6-16(17-13-15)20-9-7-19(8-10-20)11-12-21/h5-6,13-14,18,21H,3-4,7-12H2,1-2H3
InChIKeyJPBQHFNLVASJIE-UHFFFAOYSA-N
MW356.49 g/mol
LogP0.66
Rot. Bonds8

About 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide

6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide (PubChem CID 60578931) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide
PubChem CID60578931
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(N2CCN(CCO)CC2)nc1
InChIInChI=1S/C16H28N4O3S/c1-3-4-14(2)18-24(22,23)15-5-6-16(17-13-15)20-9-7-19(8-10-20)11-12-21/h5-6,13-14,18,21H,3-4,7-12H2,1-2H3
InChIKeyJPBQHFNLVASJIE-UHFFFAOYSA-N
XLogP0.66
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-pentan-2-ylpyridine-3-sulfonamide
CID 60563558
6-(methylamino)-N-pentan-2-ylpyridine-3-sulfonamide
CID 55044216
1-propyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133322500
6-morpholin-4-yl-N-propan-2-ylpyridine-3-sulfonamide
CID 58525227
N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 55816286
2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121052957
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332
N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 55370178
4-ethyl-N-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide;hydrochloride
CID 69172168
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
6-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-pentan-3-ylpyridine-3-sulfonamide
CID 55816285

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide (CID 60578931) is 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide is CCCC(C)NS(=O)(=O)c1ccc(N2CCN(CCO)CC2)nc1.
What is the InChIKey of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide?
The InChIKey is JPBQHFNLVASJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-3-4-14(2)18-24(22,23)15-5-6-16(17-13-15)20-9-7-19(8-10-20)11-12-21/h5-6,13-14,18,21H,3-4,7-12H2,1-2H3.
What are the key properties of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide?
6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide has a molecular weight of 356.49 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 60578931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).