(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol

C17H17IN2O3 — CID 163491598

IUPAC(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol
SMILESO[C@H]1C(N2c3ccccc3Oc3ccccc32)COC[C@@H]1NI
InChIInChI=1S/C17H17IN2O3/c18-19-11-9-22-10-14(17(11)21)20-12-5-1-3-7-15(12)23-16-8-4-2-6-13(16)20/h1-8,11,14,17,19,21H,9-10H2/t11-,14?,17+/m0/s1
InChIKeyCNCQJIVNUJMCID-BLBWXKFCSA-N
MW424.24 g/mol
LogP3.00
Rot. Bonds2

About (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol

(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol (PubChem CID 163491598) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol
PubChem CID163491598
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC Name(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol
SMILESO[C@H]1C(N2c3ccccc3Oc3ccccc32)COC[C@@H]1NI
InChIInChI=1S/C17H17IN2O3/c18-19-11-9-22-10-14(17(11)21)20-12-5-1-3-7-15(12)23-16-8-4-2-6-13(16)20/h1-8,11,14,17,19,21H,9-10H2/t11-,14?,17+/m0/s1
InChIKeyCNCQJIVNUJMCID-BLBWXKFCSA-N
XLogP3.00
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol
CID 126693816
(3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol
CID 126673585
4-amino-N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]benzenesulfonamide
CID 126673697
(3S,4S)-3-phenoxazin-10-yloxan-4-ol
CID 149266160
(3S,5S)-5-[2-(trifluoromethyl)phenoxazin-10-yl]oxane-3,4-diol
CID 145273709
N-[(3S,4S,5R)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673571
(3S,4S,5R)-3-[[N-methyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-5-phenoxazin-10-yloxan-4-ol
CID 166592570
N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide
CID 161459830
(3R,4S,5R)-3-[[N-(cyclopropylmethyl)-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-5-phenoxazin-10-yloxan-4-ol
CID 166592590
(4R,5S)-3-azido-5-[2-(trifluoromethyl)phenoxazin-10-yl]oxan-4-ol
CID 126694136
N-(4-hydroxy-5-phenothiazin-10-yloxan-3-yl)benzenesulfonamide
CID 126690427
2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol
CID 156714501

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol?
The IUPAC name of (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol (CID 163491598) is (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol.
What is the SMILES notation for (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol?
The canonical SMILES for (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol is O[C@H]1C(N2c3ccccc3Oc3ccccc32)COC[C@@H]1NI.
What is the InChIKey of (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol?
The InChIKey is CNCQJIVNUJMCID-BLBWXKFCSA-N. The full InChI is InChI=1S/C17H17IN2O3/c18-19-11-9-22-10-14(17(11)21)20-12-5-1-3-7-15(12)23-16-8-4-2-6-13(16)20/h1-8,11,14,17,19,21H,9-10H2/t11-,14?,17+/m0/s1.
What are the key properties of (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol?
(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol has a molecular weight of 424.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol is sourced from PubChem (CID 163491598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).