N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide

C19H31N5O5S — CID 21069063

IUPACN-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESCCCCCc1cnc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)cn1
InChIInChI=1S/C19H31N5O5S/c1-2-3-4-5-16-14-21-17(15-20-16)23-8-10-24(11-9-23)30(27,28)19(18(25)22-26)6-12-29-13-7-19/h14-15,26H,2-13H2,1H3,(H,22,25)
InChIKeyWAGWHFCOSIHTMY-UHFFFAOYSA-N
MW441.55 g/mol
LogP0.72
Rot. Bonds8

About N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21069063) has the molecular formula C19H31N5O5S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21069063
Molecular FormulaC19H31N5O5S
Molecular Weight441.55 g/mol
Exact Mass441.20
IUPAC NameN-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESCCCCCc1cnc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)cn1
InChIInChI=1S/C19H31N5O5S/c1-2-3-4-5-16-14-21-17(15-20-16)23-8-10-24(11-9-23)30(27,28)19(18(25)22-26)6-12-29-13-7-19/h14-15,26H,2-13H2,1H3,(H,22,25)
InChIKeyWAGWHFCOSIHTMY-UHFFFAOYSA-N
XLogP0.72
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide (CID 21069063) is N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide is CCCCCc1cnc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)cn1.
What is the InChIKey of N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is WAGWHFCOSIHTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O5S/c1-2-3-4-5-16-14-21-17(15-20-16)23-8-10-24(11-9-23)30(27,28)19(18(25)22-26)6-12-29-13-7-19/h14-15,26H,2-13H2,1H3,(H,22,25).
What are the key properties of N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(5-pentylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21069063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).