(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C9H15NO4S — CID 79029559

IUPAC(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CC[C@H](O)C1
InChIInChI=1S/C9H15NO4S/c11-8-1-3-10(5-8)9(12)7-2-4-15(13,14)6-7/h7-8,11H,1-6H2/t7?,8-/m0/s1
InChIKeyUUFTUVWWYBDKTQ-MQWKRIRWSA-N
MW233.29 g/mol
LogP-0.99
Rot. Bonds1

About (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 79029559) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID79029559
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CC[C@H](O)C1
InChIInChI=1S/C9H15NO4S/c11-8-1-3-10(5-8)9(12)7-2-4-15(13,14)6-7/h7-8,11H,1-6H2/t7?,8-/m0/s1
InChIKeyUUFTUVWWYBDKTQ-MQWKRIRWSA-N
XLogP-0.99
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62372380
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
(3-bromopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 80659982
(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 61295519
1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carbonitrile
CID 49063506
[(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 100672566
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
[2-(bromomethyl)morpholin-4-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 81210830
3-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62216122
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 79029559) is (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is O=C(C1CCS(=O)(=O)C1)N1CC[C@H](O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is UUFTUVWWYBDKTQ-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H15NO4S/c11-8-1-3-10(5-8)9(12)7-2-4-15(13,14)6-7/h7-8,11H,1-6H2/t7?,8-/m0/s1.
What are the key properties of (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 233.29 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 79029559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).