1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol

C12H19BrN4O3S — CID 106836374

IUPAC1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C12H19BrN4O3S/c1-8(18)9-2-4-17(5-3-9)21(19,20)11-6-10(13)7-15-12(11)16-14/h6-9,18H,2-5,14H2,1H3,(H,15,16)
InChIKeyWNZGQTVRCHNAOS-UHFFFAOYSA-N
MW379.28 g/mol
LogP0.91
Rot. Bonds4

About 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol

1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol (PubChem CID 106836374) has the molecular formula C12H19BrN4O3S and a molecular weight of 379.28 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
PubChem CID106836374
Molecular FormulaC12H19BrN4O3S
Molecular Weight379.28 g/mol
Exact Mass378.04
IUPAC Name1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1
InChIInChI=1S/C12H19BrN4O3S/c1-8(18)9-2-4-17(5-3-9)21(19,20)11-6-10(13)7-15-12(11)16-14/h6-9,18H,2-5,14H2,1H3,(H,15,16)
InChIKeyWNZGQTVRCHNAOS-UHFFFAOYSA-N
XLogP0.91
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol (CID 106836374) is 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1.
What is the InChIKey of 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol?
The InChIKey is WNZGQTVRCHNAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O3S/c1-8(18)9-2-4-17(5-3-9)21(19,20)11-6-10(13)7-15-12(11)16-14/h6-9,18H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol?
1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol has a molecular weight of 379.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).