(3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide

C15H23N3O4S — CID 124885026

IUPAC(3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide
SMILESCOC[C@@H]1CCCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C15H23N3O4S/c1-22-11-13-5-3-7-18(10-13)15(19)17-9-12-4-2-6-14(8-12)23(16,20)21/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,17,19)(H2,16,20,21)/t13-/m1/s1
InChIKeyGCEUVGDIYHZZNQ-CYBMUJFWSA-N
MW341.43 g/mol
LogP0.90
Rot. Bonds5

About (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide

(3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 124885026) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide
PubChem CID124885026
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide
SMILESCOC[C@@H]1CCCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C15H23N3O4S/c1-22-11-13-5-3-7-18(10-13)15(19)17-9-12-4-2-6-14(8-12)23(16,20)21/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,17,19)(H2,16,20,21)/t13-/m1/s1
InChIKeyGCEUVGDIYHZZNQ-CYBMUJFWSA-N
XLogP0.90
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide (CID 124885026) is (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide is COC[C@@H]1CCCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)C1.
What is the InChIKey of (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is GCEUVGDIYHZZNQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-11-13-5-3-7-18(10-13)15(19)17-9-12-4-2-6-14(8-12)23(16,20)21/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,17,19)(H2,16,20,21)/t13-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide?
(3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 124885026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).