1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid

C10H17N3O5S — CID 106185187

IUPAC1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C1CC(NS(=O)(=O)N2CCC(C(=O)O)CC2)CN1
InChIInChI=1S/C10H17N3O5S/c14-9-5-8(6-11-9)12-19(17,18)13-3-1-7(2-4-13)10(15)16/h7-8,12H,1-6H2,(H,11,14)(H,15,16)
InChIKeyXWOUTLPFMONYQF-UHFFFAOYSA-N
MW291.33 g/mol
LogP-1.49
Rot. Bonds4

About 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid

1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 106185187) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID106185187
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C1CC(NS(=O)(=O)N2CCC(C(=O)O)CC2)CN1
InChIInChI=1S/C10H17N3O5S/c14-9-5-8(6-11-9)12-19(17,18)13-3-1-7(2-4-13)10(15)16/h7-8,12H,1-6H2,(H,11,14)(H,15,16)
InChIKeyXWOUTLPFMONYQF-UHFFFAOYSA-N
XLogP-1.49
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide
CID 55244528
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106191895
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704
1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114156975
N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 105056076
3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide
CID 62491451
3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63042575
1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
CID 106359363
1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79090563
1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid
CID 112672372
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 106191753

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 106185187) is 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid is O=C1CC(NS(=O)(=O)N2CCC(C(=O)O)CC2)CN1.
What is the InChIKey of 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is XWOUTLPFMONYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c14-9-5-8(6-11-9)12-19(17,18)13-3-1-7(2-4-13)10(15)16/h7-8,12H,1-6H2,(H,11,14)(H,15,16).
What are the key properties of 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of -1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-3-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106185187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).