[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol

C8H17NOS — CID 103857733

IUPAC[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
SMILESCSCCN1CCC[C@H]1CO
InChIInChI=1S/C8H17NOS/c1-11-6-5-9-4-2-3-8(9)7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyQHAIDUCYYNSTNE-QMMMGPOBSA-N
MW175.30 g/mol
LogP0.81
Rot. Bonds4

About [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol (PubChem CID 103857733) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
PubChem CID103857733
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
SMILESCSCCN1CCC[C@H]1CO
InChIInChI=1S/C8H17NOS/c1-11-6-5-9-4-2-3-8(9)7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyQHAIDUCYYNSTNE-QMMMGPOBSA-N
XLogP0.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115613879
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115645119
2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine
CID 131219738
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol (CID 103857733) is [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol is CSCCN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol?
The InChIKey is QHAIDUCYYNSTNE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11-6-5-9-4-2-3-8(9)7-10/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 175.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103857733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).