(4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol

C7H15NO2S — CID 123735895

IUPAC(4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol
SMILESCOC1CC(CO)NC1SC
InChIInChI=1S/C7H15NO2S/c1-10-6-3-5(4-9)8-7(6)11-2/h5-9H,3-4H2,1-2H3
InChIKeyNAMSDPNVZXDGAT-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.04
Rot. Bonds3

About (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol

(4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol (PubChem CID 123735895) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol
PubChem CID123735895
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol
SMILESCOC1CC(CO)NC1SC
InChIInChI=1S/C7H15NO2S/c1-10-6-3-5(4-9)8-7(6)11-2/h5-9H,3-4H2,1-2H3
InChIKeyNAMSDPNVZXDGAT-UHFFFAOYSA-N
XLogP0.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
[(2S)-4-methylsulfanylpyrrolidin-2-yl]methanol
CID 88973819
(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol
CID 59796283
[(2R,3S)-3-methoxy-3,4-dihydro-2H-pyran-2-yl]methanol
CID 163544799
[(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol
CID 141345236
(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
CID 129171598
methyl (2S,3R,4S,6R)-4-hydroxy-6-(hydroxymethyl)-3-methylpiperidine-2-carboxylate
CID 11424240
[4-(aminomethyl)-6-(hydroxymethyl)piperidin-2-yl]methanol
CID 134359902
4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane
CID 159534501
[(2S)-4-methoxy-3-methylpyrrolidin-2-yl]methanol
CID 90158081
(6S)-6-(hydroxymethyl)-4-methoxypiperidine-2-thione
CID 10329827
[(3R)-5-methoxypyrrolidin-3-yl]methanol
CID 163641175

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol?
The IUPAC name of (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol (CID 123735895) is (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol is COC1CC(CO)NC1SC.
What is the InChIKey of (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol?
The InChIKey is NAMSDPNVZXDGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-10-6-3-5(4-9)8-7(6)11-2/h5-9H,3-4H2,1-2H3.
What are the key properties of (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol?
(4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol has a molecular weight of 177.27 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-5-methylsulfanylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 123735895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).