1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one

C8H15NO3S — CID 168669465

IUPAC1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1C[C@@H](O)CO
InChIInChI=1S/C8H15NO3S/c10-4-7(11)3-9-2-6(5-13)1-8(9)12/h6-7,10-11,13H,1-5H2/t6?,7-/m1/s1
InChIKeyHTTUXWRJXLHBOZ-COBSHVIPSA-N
MW205.28 g/mol
LogP-0.88
Rot. Bonds4

About 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one

1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168669465) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168669465
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1C[C@@H](O)CO
InChIInChI=1S/C8H15NO3S/c10-4-7(11)3-9-2-6(5-13)1-8(9)12/h6-7,10-11,13H,1-5H2/t6?,7-/m1/s1
InChIKeyHTTUXWRJXLHBOZ-COBSHVIPSA-N
XLogP-0.88
TPSA60.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168669448
1-(2-aminopropyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669215
S-[1-(2,3-dihydroxypropyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704528
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168658977
[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681848
1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 104511593
1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione
CID 139972938
1-[2-[methyl(propan-2-yl)amino]ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669654
1-(2-cyclopentyl-2-hydroxyethyl)-4-ethylpyrrolidin-2-one
CID 104753333
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793
1-(4-pyrrolidin-1-ylbutyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670896
1-[2-(2-aminoethoxy)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670942

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168669465) is 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one is O=C1CC(CS)CN1C[C@@H](O)CO.
What is the InChIKey of 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is HTTUXWRJXLHBOZ-COBSHVIPSA-N. The full InChI is InChI=1S/C8H15NO3S/c10-4-7(11)3-9-2-6(5-13)1-8(9)12/h6-7,10-11,13H,1-5H2/t6?,7-/m1/s1.
What are the key properties of 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one?
1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 205.28 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168669465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).