N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide

C15H23N3O4S — CID 126839206

IUPACN-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCCCC2CS(N)(=O)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-22-10-12-5-4-6-13(9-12)17-15(19)18-8-3-2-7-14(18)11-23(16,20)21/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyNZWYYMAWEAHSSX-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide

N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 126839206) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
PubChem CID126839206
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCOCc1cccc(NC(=O)N2CCCCC2CS(N)(=O)=O)c1
InChIInChI=1S/C15H23N3O4S/c1-22-10-12-5-4-6-13(9-12)17-15(19)18-8-3-2-7-14(18)11-23(16,20)21/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyNZWYYMAWEAHSSX-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(2R)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257335
(2S)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257336
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 87010464
N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
CID 83055508
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
N-[3-(propan-2-yloxymethyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56826998
(2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97334553
(2R)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97334552
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide (CID 126839206) is N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide is COCc1cccc(NC(=O)N2CCCCC2CS(N)(=O)=O)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is NZWYYMAWEAHSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-10-12-5-4-6-13(9-12)17-15(19)18-8-3-2-7-14(18)11-23(16,20)21/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide?
N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126839206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).