(2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde

C5H9NO3S — CID 91088170

IUPAC(2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde
SMILESO=CN1CCO[C@@H](SO)C1
InChIInChI=1S/C5H9NO3S/c7-4-6-1-2-9-5(3-6)10-8/h4-5,8H,1-3H2/t5-/m0/s1
InChIKeyMZHKTUYLMVBAAA-YFKPBYRVSA-N
MW163.20 g/mol
LogP0.01
Rot. Bonds2

About (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde

(2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde (PubChem CID 91088170) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde
PubChem CID91088170
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name(2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde
SMILESO=CN1CCO[C@@H](SO)C1
InChIInChI=1S/C5H9NO3S/c7-4-6-1-2-9-5(3-6)10-8/h4-5,8H,1-3H2/t5-/m0/s1
InChIKeyMZHKTUYLMVBAAA-YFKPBYRVSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trihydroxy(2-morpholin-4-ylethyl)-lambda4-sulfane
CID 90655273
1-Morpholin-4-yl-2-sulfinylethanone
CID 14744574
3-Sulfanylmorpholine-4-carboxylic acid
CID 88385550
S-ethylsulfanyl morpholine-4-carbothioate
CID 88809442
4-(2-Hydroxysulfanylethyl)morpholine
CID 166162246
2-Sulfanylmorpholine-4-carbaldehyde
CID 173336856
Methanesulfonic acid;morpholine-4-carbaldehyde
CID 175213764
2-sulfanylmorpholine-4-carbothioic S-acid
CID 21655712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde?
The IUPAC name of (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde (CID 91088170) is (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde.
What is the SMILES notation for (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde?
The canonical SMILES for (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde is O=CN1CCO[C@@H](SO)C1.
What is the InChIKey of (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde?
The InChIKey is MZHKTUYLMVBAAA-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NO3S/c7-4-6-1-2-9-5(3-6)10-8/h4-5,8H,1-3H2/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde?
(2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde has a molecular weight of 163.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxysulfanylmorpholine-4-carbaldehyde is sourced from PubChem (CID 91088170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).