(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C10H17NO4S — CID 62372380

IUPAC(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCC(CO)C1
InChIInChI=1S/C10H17NO4S/c12-6-8-1-3-11(5-8)10(13)9-2-4-16(14,15)7-9/h8-9,12H,1-7H2
InChIKeyVKMLEDJCQBMHPQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.74
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62372380) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62372380
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCC(CO)C1
InChIInChI=1S/C10H17NO4S/c12-6-8-1-3-11(5-8)10(13)9-2-4-16(14,15)7-9/h8-9,12H,1-7H2
InChIKeyVKMLEDJCQBMHPQ-UHFFFAOYSA-N
XLogP-0.74
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029559
(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 61295519
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
3-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62216122
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
2-[[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813636
(3-bromopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 80659982
cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371831
1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carbonitrile
CID 49063506
[(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 124954485

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62372380) is (1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1CCS(=O)(=O)C1)N1CCC(CO)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is VKMLEDJCQBMHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-6-8-1-3-11(5-8)10(13)9-2-4-16(14,15)7-9/h8-9,12H,1-7H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 247.32 g/mol, XLogP of -0.74, 2 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)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62372380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).