1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid

C14H22N2O5S2 — CID 146121436

IUPAC1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCOCCN(Cc1cccs1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O5S2/c1-21-8-7-16(11-13-5-3-9-22-13)23(19,20)15-6-2-4-12(10-15)14(17)18/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,17,18)
InChIKeyYMTYVHZBZNVXPV-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.24
Rot. Bonds8

About 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid

1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 146121436) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID146121436
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC Name1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCOCCN(Cc1cccs1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O5S2/c1-21-8-7-16(11-13-5-3-9-22-13)23(19,20)15-6-2-4-12(10-15)14(17)18/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,17,18)
InChIKeyYMTYVHZBZNVXPV-UHFFFAOYSA-N
XLogP1.24
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61455664
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978324
(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81117787
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 18114209
1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46401961
2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide
CID 51331024
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 3214808
2-amino-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 64823784
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid (CID 146121436) is 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid is COCCN(Cc1cccs1)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is YMTYVHZBZNVXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-21-8-7-16(11-13-5-3-9-22-13)23(19,20)15-6-2-4-12(10-15)14(17)18/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,17,18).
What are the key properties of 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 146121436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).