1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid

C14H21N3O5S2 — CID 122007238

IUPAC1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(CCNC(=O)N1CCCC(C(=O)O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H21N3O5S2/c1-16(24(21,22)12-5-3-9-23-12)8-6-15-14(20)17-7-2-4-11(10-17)13(18)19/h3,5,9,11H,2,4,6-8,10H2,1H3,(H,15,20)(H,18,19)
InChIKeyKPBICHMYWDDMFC-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.87
Rot. Bonds6

About 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid

1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122007238) has the molecular formula C14H21N3O5S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122007238
Molecular FormulaC14H21N3O5S2
Molecular Weight375.47 g/mol
Exact Mass375.09
IUPAC Name1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(CCNC(=O)N1CCCC(C(=O)O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H21N3O5S2/c1-16(24(21,22)12-5-3-9-23-12)8-6-15-14(20)17-7-2-4-11(10-17)13(18)19/h3,5,9,11H,2,4,6-8,10H2,1H3,(H,15,20)(H,18,19)
InChIKeyKPBICHMYWDDMFC-UHFFFAOYSA-N
XLogP0.87
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-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

3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide
CID 155956811
4-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122007237
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119968
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 114111695
(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid
CID 106039371
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61455664

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122007238) is 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid is CN(CCNC(=O)N1CCCC(C(=O)O)C1)S(=O)(=O)c1cccs1.
What is the InChIKey of 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KPBICHMYWDDMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S2/c1-16(24(21,22)12-5-3-9-23-12)8-6-15-14(20)17-7-2-4-11(10-17)13(18)19/h3,5,9,11H,2,4,6-8,10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid?
1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122007238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).