azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide

C14H21N5O5S — CID 158041104

IUPACazane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide
SMILESN.[H]/N=C(C(=O)NO)/C(=N\[H])S(=O)(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C14H18N4O5S.H3N/c15-12(14(19)17-20)13(16)24(21,22)18-8-6-11(7-9-18)23-10-4-2-1-3-5-10;/h1-5,11,15-16,20H,6-9H2,(H,17,19);1H3/b15-12-,16-13+;
InChIKeyFRJNZZSLAHKDRF-XQHYRYMUSA-N
MW371.42 g/mol
LogP0.52
Rot. Bonds5

About azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide

azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide (PubChem CID 158041104) has the molecular formula C14H21N5O5S and a molecular weight of 371.42 g/mol. Its IUPAC name is azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide.

Molecular Properties

Compound Nameazane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide
PubChem CID158041104
Molecular FormulaC14H21N5O5S
Molecular Weight371.42 g/mol
Exact Mass371.13
IUPAC Nameazane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide
SMILESN.[H]/N=C(C(=O)NO)/C(=N\[H])S(=O)(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C14H18N4O5S.H3N/c15-12(14(19)17-20)13(16)24(21,22)18-8-6-11(7-9-18)23-10-4-2-1-3-5-10;/h1-5,11,15-16,20H,6-9H2,(H,17,19);1H3/b15-12-,16-13+;
InChIKeyFRJNZZSLAHKDRF-XQHYRYMUSA-N
XLogP0.52
TPSA178.64 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide?
The IUPAC name of azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide (CID 158041104) is azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide.
What is the SMILES notation for azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide?
The canonical SMILES for azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide is N.[H]/N=C(C(=O)NO)/C(=N\[H])S(=O)(=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide?
The InChIKey is FRJNZZSLAHKDRF-XQHYRYMUSA-N. The full InChI is InChI=1S/C14H18N4O5S.H3N/c15-12(14(19)17-20)13(16)24(21,22)18-8-6-11(7-9-18)23-10-4-2-1-3-5-10;/h1-5,11,15-16,20H,6-9H2,(H,17,19);1H3/b15-12-,16-13+;.
What are the key properties of azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide?
azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide has a molecular weight of 371.42 g/mol, XLogP of 0.52, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-hydroxy-2,3-diimino-3-(4-phenoxypiperidin-1-yl)sulfonylpropanamide is sourced from PubChem (CID 158041104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).