N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide

C6H10INO3 — CID 122536495

IUPACN-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide
SMILESO=C(I)N[C@H]1COCC[C@@H]1O
InChIInChI=1S/C6H10INO3/c7-6(10)8-4-3-11-2-1-5(4)9/h4-5,9H,1-3H2,(H,8,10)/t4-,5-/m0/s1
InChIKeyAWGMNZGCEJUKSM-WHFBIAKZSA-N
MW271.05 g/mol
LogP0.28
Rot. Bonds1

About N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide

N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide (PubChem CID 122536495) has the molecular formula C6H10INO3 and a molecular weight of 271.05 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide
PubChem CID122536495
Molecular FormulaC6H10INO3
Molecular Weight271.05 g/mol
Exact Mass270.97
IUPAC NameN-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide
SMILESO=C(I)N[C@H]1COCC[C@@H]1O
InChIInChI=1S/C6H10INO3/c7-6(10)8-4-3-11-2-1-5(4)9/h4-5,9H,1-3H2,(H,8,10)/t4-,5-/m0/s1
InChIKeyAWGMNZGCEJUKSM-WHFBIAKZSA-N
XLogP0.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.05
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2R)-2-hydroxycyclopentyl]carbamoyl iodide
CID 122536489
3-(methylamino)oxan-4-ol
CID 55287171
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide
CID 91797838
methyl 4-hydroxyoxane-3-carboxylate
CID 82596115
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 91774191
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91768208
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 91773534
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
CID 91797072
N-(4-hydrazinyloxan-3-yl)acetamide
CID 123188437
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 91781332
2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91785853
(3S,4R)-4-(methylamino)oxan-3-ol
CID 68677504

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide?
The IUPAC name of N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide (CID 122536495) is N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide.
What is the SMILES notation for N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide?
The canonical SMILES for N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide is O=C(I)N[C@H]1COCC[C@@H]1O.
What is the InChIKey of N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide?
The InChIKey is AWGMNZGCEJUKSM-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10INO3/c7-6(10)8-4-3-11-2-1-5(4)9/h4-5,9H,1-3H2,(H,8,10)/t4-,5-/m0/s1.
What are the key properties of N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide?
N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide has a molecular weight of 271.05 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide is sourced from PubChem (CID 122536495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).