1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid

C10H18N2O6S2 — CID 60858082

IUPAC1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H18N2O6S2/c13-10(14)8-2-1-4-12(6-8)20(17,18)11-9-3-5-19(15,16)7-9/h8-9,11H,1-7H2,(H,13,14)
InChIKeyYWWZOYRSGGEAIJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP-1.20
Rot. Bonds4

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

1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60858082) has the molecular formula C10H18N2O6S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60858082
Molecular FormulaC10H18N2O6S2
Molecular Weight326.40 g/mol
Exact Mass326.06
IUPAC Name1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H18N2O6S2/c13-10(14)8-2-1-4-12(6-8)20(17,18)11-9-3-5-19(15,16)7-9/h8-9,11H,1-7H2,(H,13,14)
InChIKeyYWWZOYRSGGEAIJ-UHFFFAOYSA-N
XLogP-1.20
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propylsulfonylpiperidine-3-carboxylic acid
CID 68054664
3-Pentylsulfonylpiperidine-3-carboxylic acid
CID 69392509
Acetic acid;5-sulfamoylpiperidine-3-carboxylic acid
CID 134541678
1-(Thian-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 172500690
1-[2-(Butan-2-ylamino)ethylsulfonyl]piperidine-3-carboxylic acid
CID 174164588
1-[2-(Propan-2-ylamino)ethylsulfonyl]piperidine-3-carboxylic acid
CID 174164589
1-(1,1-Dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
1-[(1,1-Dioxothiolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43318359
1-(1,1-Dioxothiolan-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 43361308
1-[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385888
1-[2-(3-Amino-3-oxopropyl)sulfonylethyl]piperidine-3-carboxylic acid
CID 43440863
(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-3-carboxylic acid
CID 51569868

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid (CID 60858082) is 1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NC2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is YWWZOYRSGGEAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S2/c13-10(14)8-2-1-4-12(6-8)20(17,18)11-9-3-5-19(15,16)7-9/h8-9,11H,1-7H2,(H,13,14).
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60858082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).