N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine

C19H27FN4O4S — CID 87345754

IUPACN-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine
SMILESO=S(=O)(CC(C#CCN1CCOCC1)NO)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN4O4S/c20-17-3-5-19(6-4-17)23-8-10-24(11-9-23)29(26,27)16-18(21-25)2-1-7-22-12-14-28-15-13-22/h3-6,18,21,25H,7-16H2
InChIKeyVWZXIFZKCOKZDL-UHFFFAOYSA-N
MW426.51 g/mol
LogP-0.04
Rot. Bonds6

About N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine

N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine (PubChem CID 87345754) has the molecular formula C19H27FN4O4S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine
PubChem CID87345754
Molecular FormulaC19H27FN4O4S
Molecular Weight426.51 g/mol
Exact Mass426.17
IUPAC NameN-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine
SMILESO=S(=O)(CC(C#CCN1CCOCC1)NO)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN4O4S/c20-17-3-5-19(6-4-17)23-8-10-24(11-9-23)29(26,27)16-18(21-25)2-1-7-22-12-14-28-15-13-22/h3-6,18,21,25H,7-16H2
InChIKeyVWZXIFZKCOKZDL-UHFFFAOYSA-N
XLogP-0.04
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine?
The IUPAC name of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine (CID 87345754) is N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine.
What is the SMILES notation for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine?
The canonical SMILES for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine is O=S(=O)(CC(C#CCN1CCOCC1)NO)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine?
The InChIKey is VWZXIFZKCOKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O4S/c20-17-3-5-19(6-4-17)23-8-10-24(11-9-23)29(26,27)16-18(21-25)2-1-7-22-12-14-28-15-13-22/h3-6,18,21,25H,7-16H2.
What are the key properties of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine?
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine has a molecular weight of 426.51 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine is sourced from PubChem (CID 87345754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).