N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide

C16H16N4O4S — CID 59710509

IUPACN-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide
SMILESC[C@@H](NS(=O)c1ccc(Oc2ccccn2)cc1)[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C16H16N4O4S/c1-10(14-15(21)19-16(22)18-14)20-25(23)12-7-5-11(6-8-12)24-13-4-2-3-9-17-13/h2-10,14,20H,1H3,(H2,18,19,21,22)/t10-,14+,25?/m1/s1
InChIKeyDUXBUZMPOBDUEE-YSWOESNESA-N
MW360.40 g/mol
LogP1.08
Rot. Bonds6

About N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide

N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide (PubChem CID 59710509) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide
PubChem CID59710509
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide
SMILESC[C@@H](NS(=O)c1ccc(Oc2ccccn2)cc1)[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C16H16N4O4S/c1-10(14-15(21)19-16(22)18-14)20-25(23)12-7-5-11(6-8-12)24-13-4-2-3-9-17-13/h2-10,14,20H,1H3,(H2,18,19,21,22)/t10-,14+,25?/m1/s1
InChIKeyDUXBUZMPOBDUEE-YSWOESNESA-N
XLogP1.08
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide?
The IUPAC name of N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide (CID 59710509) is N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide.
What is the SMILES notation for N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide?
The canonical SMILES for N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide is C[C@@H](NS(=O)c1ccc(Oc2ccccn2)cc1)[C@@H]1NC(=O)NC1=O.
What is the InChIKey of N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide?
The InChIKey is DUXBUZMPOBDUEE-YSWOESNESA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-10(14-15(21)19-16(22)18-14)20-25(23)12-7-5-11(6-8-12)24-13-4-2-3-9-17-13/h2-10,14,20H,1H3,(H2,18,19,21,22)/t10-,14+,25?/m1/s1.
What are the key properties of N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide?
N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide has a molecular weight of 360.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfinamide is sourced from PubChem (CID 59710509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).