1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid

C10H17NO4S — CID 16637312

IUPAC1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-2-1-4-11(6-8)9-3-5-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)
InChIKeyDOJJWVPFWBVDKB-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.03
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid

1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid (PubChem CID 16637312) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
PubChem CID16637312
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H17NO4S/c12-10(13)8-2-1-4-11(6-8)9-3-5-16(14,15)7-9/h8-9H,1-7H2,(H,12,13)
InChIKeyDOJJWVPFWBVDKB-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
CID 107226058
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
CID 39225830
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 117008143
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
1-(oxolan-3-yl)piperidine-3-carboxylic acid
CID 63557363
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 81126357
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94040018
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidine-3-carboxylic acid
CID 60950372
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)piperidine-3-carboxylic acid
CID 63155393

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid (CID 16637312) is 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid?
The InChIKey is DOJJWVPFWBVDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)8-2-1-4-11(6-8)9-3-5-16(14,15)7-9/h8-9H,1-7H2,(H,12,13).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid?
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 16637312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).