(2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide

C8H16N2O2S — CID 59885096

IUPAC(2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide
SMILESC[C@H](C(N)=O)[C@@H](O)[C@@H]1C[C@H](S)CN1
InChIInChI=1S/C8H16N2O2S/c1-4(8(9)12)7(11)6-2-5(13)3-10-6/h4-7,10-11,13H,2-3H2,1H3,(H2,9,12)/t4-,5-,6-,7+/m0/s1
InChIKeyRYELNHPMPVOWNQ-ZTYPAOSTSA-N
MW204.30 g/mol
LogP-0.87
Rot. Bonds3

About (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide

(2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide (PubChem CID 59885096) has the molecular formula C8H16N2O2S and a molecular weight of 204.30 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide
PubChem CID59885096
Molecular FormulaC8H16N2O2S
Molecular Weight204.30 g/mol
Exact Mass204.09
IUPAC Name(2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide
SMILESC[C@H](C(N)=O)[C@@H](O)[C@@H]1C[C@H](S)CN1
InChIInChI=1S/C8H16N2O2S/c1-4(8(9)12)7(11)6-2-5(13)3-10-6/h4-7,10-11,13H,2-3H2,1H3,(H2,9,12)/t4-,5-,6-,7+/m0/s1
InChIKeyRYELNHPMPVOWNQ-ZTYPAOSTSA-N
XLogP-0.87
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide (CID 59885096) is (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide is C[C@H](C(N)=O)[C@@H](O)[C@@H]1C[C@H](S)CN1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide?
The InChIKey is RYELNHPMPVOWNQ-ZTYPAOSTSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-4(8(9)12)7(11)6-2-5(13)3-10-6/h4-7,10-11,13H,2-3H2,1H3,(H2,9,12)/t4-,5-,6-,7+/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide?
(2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide has a molecular weight of 204.30 g/mol, XLogP of -0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-methyl-3-[(2S,4S)-4-sulfanylpyrrolidin-2-yl]propanamide is sourced from PubChem (CID 59885096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).