(2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol

C7H15NO2S — CID 67952087

IUPAC(2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol
SMILESCCSC[C@H]1NC[C@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO2S/c1-2-11-4-5-7(10)6(9)3-8-5/h5-10H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKeySFYVMCRMDSEZTI-DSYKOEDSSA-N
MW177.27 g/mol
LogP-0.57
Rot. Bonds3

About (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol

(2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol (PubChem CID 67952087) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol
PubChem CID67952087
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol
SMILESCCSC[C@H]1NC[C@H](O)[C@@H]1O
InChIInChI=1S/C7H15NO2S/c1-2-11-4-5-7(10)6(9)3-8-5/h5-10H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKeySFYVMCRMDSEZTI-DSYKOEDSSA-N
XLogP-0.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol (CID 67952087) is (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol is CCSC[C@H]1NC[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol?
The InChIKey is SFYVMCRMDSEZTI-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-11-4-5-7(10)6(9)3-8-5/h5-10H,2-4H2,1H3/t5-,6+,7-/m1/s1.
What are the key properties of (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol?
(2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol has a molecular weight of 177.27 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-(ethylsulfanylmethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 67952087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).