(2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide

C16H24N4O4S2 — CID 18727157

IUPAC(2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide
SMILESO=C(NO)[C@H]1CCCCN1S(=O)(=O)N1CCC(Sc2ccncc2)CC1
InChIInChI=1S/C16H24N4O4S2/c21-16(18-22)15-3-1-2-10-20(15)26(23,24)19-11-6-14(7-12-19)25-13-4-8-17-9-5-13/h4-5,8-9,14-15,22H,1-3,6-7,10-12H2,(H,18,21)/t15-/m1/s1
InChIKeyUWGPYFXKUBVUAJ-OAHLLOKOSA-N
MW400.53 g/mol
LogP1.24
Rot. Bonds5

About (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide

(2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide (PubChem CID 18727157) has the molecular formula C16H24N4O4S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide
PubChem CID18727157
Molecular FormulaC16H24N4O4S2
Molecular Weight400.53 g/mol
Exact Mass400.12
IUPAC Name(2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide
SMILESO=C(NO)[C@H]1CCCCN1S(=O)(=O)N1CCC(Sc2ccncc2)CC1
InChIInChI=1S/C16H24N4O4S2/c21-16(18-22)15-3-1-2-10-20(15)26(23,24)19-11-6-14(7-12-19)25-13-4-8-17-9-5-13/h4-5,8-9,14-15,22H,1-3,6-7,10-12H2,(H,18,21)/t15-/m1/s1
InChIKeyUWGPYFXKUBVUAJ-OAHLLOKOSA-N
XLogP1.24
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide (CID 18727157) is (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide is O=C(NO)[C@H]1CCCCN1S(=O)(=O)N1CCC(Sc2ccncc2)CC1.
What is the InChIKey of (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide?
The InChIKey is UWGPYFXKUBVUAJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N4O4S2/c21-16(18-22)15-3-1-2-10-20(15)26(23,24)19-11-6-14(7-12-19)25-13-4-8-17-9-5-13/h4-5,8-9,14-15,22H,1-3,6-7,10-12H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide?
(2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-(4-pyridin-4-ylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 18727157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).