1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone

C10H17NO5S — CID 79403357

IUPAC1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone
SMILESO=C(CC1CCS(=O)(=O)C1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H17NO5S/c12-8-4-11(5-9(8)13)10(14)3-7-1-2-17(15,16)6-7/h7-9,12-13H,1-6H2/t7?,8-,9+
InChIKeySZJUHELORWPEBD-CBLAIPOGSA-N
MW263.31 g/mol
LogP-1.62
Rot. Bonds2

About 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone

1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone (PubChem CID 79403357) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone
PubChem CID79403357
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone
SMILESO=C(CC1CCS(=O)(=O)C1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H17NO5S/c12-8-4-11(5-9(8)13)10(14)3-7-1-2-17(15,16)6-7/h7-9,12-13H,1-6H2/t7?,8-,9+
InChIKeySZJUHELORWPEBD-CBLAIPOGSA-N
XLogP-1.62
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone with MolForge

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Related Compounds

2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106671365
2-(1,1-dioxothiolan-3-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63250693
3-[1-[2-(1,1-dioxothiolan-3-yl)acetyl]piperidin-4-yl]propanoic acid
CID 62217837
2-(1,1-dioxothiolan-3-yl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110346624
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(1,1-dioxothiolan-3-yl)ethanone
CID 61234404
2-[4-[2-(1,1-dioxothiolan-3-yl)acetyl]piperazin-1-yl]propanoic acid
CID 62315845
4-[2-(1,1-dioxothiolan-3-yl)acetyl]piperazin-2-one
CID 55023787
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611
2-[4-[2-(1,1-dioxothiolan-3-yl)acetyl]-1,4-diazepan-1-yl]acetic acid
CID 62823387
2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51943549
methyl 4-[2-(1,1-dioxothiolan-3-yl)acetyl]morpholine-2-carboxylate
CID 78926573
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]ethanone
CID 31383484

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone?
The IUPAC name of 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone (CID 79403357) is 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone.
What is the SMILES notation for 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone?
The canonical SMILES for 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone is O=C(CC1CCS(=O)(=O)C1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone?
The InChIKey is SZJUHELORWPEBD-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H17NO5S/c12-8-4-11(5-9(8)13)10(14)3-7-1-2-17(15,16)6-7/h7-9,12-13H,1-6H2/t7?,8-,9+.
What are the key properties of 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone?
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone has a molecular weight of 263.31 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone is sourced from PubChem (CID 79403357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).