2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol

C15H25N4O4S+ — CID 140731722

IUPAC2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol
SMILESO=S(=O)(c1cnccc1N1CC[NH+](CCO)CC1)N1CCOCC1
InChIInChI=1S/C15H24N4O4S/c20-10-7-17-3-5-18(6-4-17)14-1-2-16-13-15(14)24(21,22)19-8-11-23-12-9-19/h1-2,13,20H,3-12H2/p+1
InChIKeyPMMWMORLKHLOJG-UHFFFAOYSA-O
MW357.46 g/mol
LogP-2.20
Rot. Bonds5

About 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol

2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol (PubChem CID 140731722) has the molecular formula C15H25N4O4S+ and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol
PubChem CID140731722
Molecular FormulaC15H25N4O4S+
Molecular Weight357.46 g/mol
Exact Mass357.16
IUPAC Name2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol
SMILESO=S(=O)(c1cnccc1N1CC[NH+](CCO)CC1)N1CCOCC1
InChIInChI=1S/C15H24N4O4S/c20-10-7-17-3-5-18(6-4-17)14-1-2-16-13-15(14)24(21,22)19-8-11-23-12-9-19/h1-2,13,20H,3-12H2/p+1
InChIKeyPMMWMORLKHLOJG-UHFFFAOYSA-O
XLogP-2.20
TPSA87.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol with MolForge

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Related Compounds

[4-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 167865189
1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine
CID 102538674
ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate
CID 1214448
3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55331545
2-[4-(4-morpholin-4-ylquinazolin-2-yl)piperazin-1-ium-1-yl]ethanol
CID 7349238
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
4-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-4-ium-1-yl]phenol
CID 8690269
N-(3-morpholin-4-ylsulfonylphenyl)-3-pyridin-3-ylpropanamide
CID 9204402
2-(4-morpholin-4-yl-3-pyridinyl)ethanamine
CID 83883289
1-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 83882794
4-(4-methylpiperazin-1-yl)pyridine-3-sulfonic acid
CID 102538690
[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81237350

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol (CID 140731722) is 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol is O=S(=O)(c1cnccc1N1CC[NH+](CCO)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol?
The InChIKey is PMMWMORLKHLOJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N4O4S/c20-10-7-17-3-5-18(6-4-17)14-1-2-16-13-15(14)24(21,22)19-8-11-23-12-9-19/h1-2,13,20H,3-12H2/p+1.
What are the key properties of 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol?
2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol has a molecular weight of 357.46 g/mol, XLogP of -2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-morpholin-4-ylsulfonyl-4-pyridinyl)piperazin-1-ium-1-yl]ethanol is sourced from PubChem (CID 140731722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).