(3S)-3-iodomorpholin-4-amine

C4H9IN2O — CID 126516016

IUPAC(3S)-3-iodomorpholin-4-amine
SMILESNN1CCOC[C@@H]1I
InChIInChI=1S/C4H9IN2O/c5-4-3-8-2-1-7(4)6/h4H,1-3,6H2/t4-/m1/s1
InChIKeyXUQFLBPICZBWID-SCSAIBSYSA-N
MW228.03 g/mol
LogP-0.05
Rot. Bonds

About (3S)-3-iodomorpholin-4-amine

(3S)-3-iodomorpholin-4-amine (PubChem CID 126516016) has the molecular formula C4H9IN2O and a molecular weight of 228.03 g/mol. Its IUPAC name is (3S)-3-iodomorpholin-4-amine.

Molecular Properties

Compound Name(3S)-3-iodomorpholin-4-amine
PubChem CID126516016
Molecular FormulaC4H9IN2O
Molecular Weight228.03 g/mol
Exact Mass227.98
IUPAC Name(3S)-3-iodomorpholin-4-amine
SMILESNN1CCOC[C@@H]1I
InChIInChI=1S/C4H9IN2O/c5-4-3-8-2-1-7(4)6/h4H,1-3,6H2/t4-/m1/s1
InChIKeyXUQFLBPICZBWID-SCSAIBSYSA-N
XLogP-0.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-ylmorpholin-4-amine
CID 139481261
1-(3-iodomorpholin-4-yl)ethanone
CID 140998826
3-(4-fluorophenyl)morpholin-4-amine
CID 82399655
8,8-dichloro-7-methyl-4-oxa-1-azabicyclo[4.2.0]octane
CID 57142178
4-N,4-N-dimethylmorpholine-3,4-diamine
CID 142701780
4-(4-aminomorpholin-3-yl)-4-oxobutanal
CID 175865911
3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine
CID 103495081
1,4,7-dioxazonan-7-amine
CID 147560539
3-cyclopropylmorpholine-4-carbaldehyde
CID 123226910
4-(4-methylmorpholin-3-yl)oxolan-2-one
CID 11608048
4-oxa-1-azabicyclo[4.2.2]decane
CID 118209761
(3R,4S)-4-morpholin-4-yloxolan-3-ol
CID 11378780

Frequently Asked Questions

What is the IUPAC name of (3S)-3-iodomorpholin-4-amine?
The IUPAC name of (3S)-3-iodomorpholin-4-amine (CID 126516016) is (3S)-3-iodomorpholin-4-amine.
What is the SMILES notation for (3S)-3-iodomorpholin-4-amine?
The canonical SMILES for (3S)-3-iodomorpholin-4-amine is NN1CCOC[C@@H]1I.
What is the InChIKey of (3S)-3-iodomorpholin-4-amine?
The InChIKey is XUQFLBPICZBWID-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9IN2O/c5-4-3-8-2-1-7(4)6/h4H,1-3,6H2/t4-/m1/s1.
What are the key properties of (3S)-3-iodomorpholin-4-amine?
(3S)-3-iodomorpholin-4-amine has a molecular weight of 228.03 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-iodomorpholin-4-amine is sourced from PubChem (CID 126516016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).