[4-(sulfanylmethyl)morpholin-3-yl]methanol

C6H13NO2S — CID 139499999

IUPAC[4-(sulfanylmethyl)morpholin-3-yl]methanol
SMILESOCC1COCCN1CS
InChIInChI=1S/C6H13NO2S/c8-3-6-4-9-2-1-7(6)5-10/h6,8,10H,1-5H2
InChIKeyKBUKTZVYVPHARI-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.43
Rot. Bonds2

About [4-(sulfanylmethyl)morpholin-3-yl]methanol

[4-(sulfanylmethyl)morpholin-3-yl]methanol (PubChem CID 139499999) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is [4-(sulfanylmethyl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(sulfanylmethyl)morpholin-3-yl]methanol
PubChem CID139499999
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name[4-(sulfanylmethyl)morpholin-3-yl]methanol
SMILESOCC1COCCN1CS
InChIInChI=1S/C6H13NO2S/c8-3-6-4-9-2-1-7(6)5-10/h6,8,10H,1-5H2
InChIKeyKBUKTZVYVPHARI-UHFFFAOYSA-N
XLogP-0.43
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(hydroxymethyl)morpholin-4-yl]ethanol
CID 83815724
2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile
CID 83815490
[4-[2-(methylamino)ethyl]morpholin-3-yl]methanol
CID 83816538
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
[4-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)morpholin-3-yl]methanol
CID 83821157
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
CID 143677973
3-(hydroxymethyl)morpholine-4-carbaldehyde
CID 87595725
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
CID 106710137
[4-[2-(1-methylpyrazol-4-yl)ethyl]morpholin-3-yl]methanol
CID 104877516
[4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol
CID 144552538
(4-methylsulfinylmorpholin-3-yl)methanol
CID 127006204

Frequently Asked Questions

What is the IUPAC name of [4-(sulfanylmethyl)morpholin-3-yl]methanol?
The IUPAC name of [4-(sulfanylmethyl)morpholin-3-yl]methanol (CID 139499999) is [4-(sulfanylmethyl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(sulfanylmethyl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(sulfanylmethyl)morpholin-3-yl]methanol is OCC1COCCN1CS.
What is the InChIKey of [4-(sulfanylmethyl)morpholin-3-yl]methanol?
The InChIKey is KBUKTZVYVPHARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c8-3-6-4-9-2-1-7(6)5-10/h6,8,10H,1-5H2.
What are the key properties of [4-(sulfanylmethyl)morpholin-3-yl]methanol?
[4-(sulfanylmethyl)morpholin-3-yl]methanol has a molecular weight of 163.24 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(sulfanylmethyl)morpholin-3-yl]methanol is sourced from PubChem (CID 139499999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).