1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid

C11H13N3O4S2 — CID 60858929

IUPAC1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESN#Cc1ccsc1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H13N3O4S2/c12-7-9-3-6-19-10(9)13-20(17,18)14-4-1-8(2-5-14)11(15)16/h3,6,8,13H,1-2,4-5H2,(H,15,16)
InChIKeyPJOSRPYIEKNVDX-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.07
Rot. Bonds4

About 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid

1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60858929) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60858929
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESN#Cc1ccsc1NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H13N3O4S2/c12-7-9-3-6-19-10(9)13-20(17,18)14-4-1-8(2-5-14)11(15)16/h3,6,8,13H,1-2,4-5H2,(H,15,16)
InChIKeyPJOSRPYIEKNVDX-UHFFFAOYSA-N
XLogP1.07
TPSA110.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858072
N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86976852
cis-(1S,2R)-2-[(3-cyanothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40623421
trans-(1S,2S)-2-[(3-cyanothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40623425
1-(1,3-thiazol-2-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 61283284
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441838
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 107641504
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747957
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859379
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 60858929) is 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid is N#Cc1ccsc1NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is PJOSRPYIEKNVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c12-7-9-3-6-19-10(9)13-20(17,18)14-4-1-8(2-5-14)11(15)16/h3,6,8,13H,1-2,4-5H2,(H,15,16).
What are the key properties of 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanothiophen-2-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60858929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).