1-ethyl-4-methylsulfanylpyrrolidin-2-ol

C7H15NOS — CID 91281249

IUPAC1-ethyl-4-methylsulfanylpyrrolidin-2-ol
SMILESCCN1CC(SC)CC1O
InChIInChI=1S/C7H15NOS/c1-3-8-5-6(10-2)4-7(8)9/h6-7,9H,3-5H2,1-2H3
InChIKeyFOVOTPULRNEPJE-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.76
Rot. Bonds2

About 1-ethyl-4-methylsulfanylpyrrolidin-2-ol

1-ethyl-4-methylsulfanylpyrrolidin-2-ol (PubChem CID 91281249) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfanylpyrrolidin-2-ol.

Molecular Properties

Compound Name1-ethyl-4-methylsulfanylpyrrolidin-2-ol
PubChem CID91281249
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-ethyl-4-methylsulfanylpyrrolidin-2-ol
SMILESCCN1CC(SC)CC1O
InChIInChI=1S/C7H15NOS/c1-3-8-5-6(10-2)4-7(8)9/h6-7,9H,3-5H2,1-2H3
InChIKeyFOVOTPULRNEPJE-UHFFFAOYSA-N
XLogP0.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-methylsulfanylpyrrolidine-2,5-diol
CID 89087535
2-(2,3-Dimethyl-1,3-thiazolidin-4-yl)ethanol
CID 89681829
(1-Ethylpyrrolidin-3-yl)sulfanylmethanol
CID 123713213
1-(1,3-Thiazolidin-3-yl)propan-1-ol
CID 123722634
1-Tert-butyl-4-(2,2-dimethylpropylsulfanyl)pyrrolidin-2-ol
CID 129167683
2-Methoxy-1-methyl-3-methylsulfanylpyrrolidine
CID 143379884
(3-Methylsulfanylpyrrolidin-1-yl)methanol
CID 150511123
1-Propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol
CID 163443672
(2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol
CID 163573987
(1S)-1-[(5S)-5-methyl-1,3-thiazolidin-3-yl]ethanol
CID 163989388
1-Methyl-3-sulfanylpyrrolidine-2,5-diol
CID 169676149
4-[Methyl(thiolan-3-yl)amino]butan-1-ol
CID 43509533

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfanylpyrrolidin-2-ol?
The IUPAC name of 1-ethyl-4-methylsulfanylpyrrolidin-2-ol (CID 91281249) is 1-ethyl-4-methylsulfanylpyrrolidin-2-ol.
What is the SMILES notation for 1-ethyl-4-methylsulfanylpyrrolidin-2-ol?
The canonical SMILES for 1-ethyl-4-methylsulfanylpyrrolidin-2-ol is CCN1CC(SC)CC1O.
What is the InChIKey of 1-ethyl-4-methylsulfanylpyrrolidin-2-ol?
The InChIKey is FOVOTPULRNEPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-8-5-6(10-2)4-7(8)9/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-4-methylsulfanylpyrrolidin-2-ol?
1-ethyl-4-methylsulfanylpyrrolidin-2-ol has a molecular weight of 161.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfanylpyrrolidin-2-ol is sourced from PubChem (CID 91281249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).