N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide

C14H23N3O3S2 — CID 119051482

IUPACN-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCCc1ccc(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)s1
InChIInChI=1S/C14H23N3O3S2/c1-2-12-3-4-13(21-12)9-16-14(18)17-7-5-11(6-8-17)10-22(15,19)20/h3-4,11H,2,5-10H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyWPVJGFNWIMMFSP-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.52
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide

N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 119051482) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
PubChem CID119051482
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESCCc1ccc(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)s1
InChIInChI=1S/C14H23N3O3S2/c1-2-12-3-4-13(21-12)9-16-14(18)17-7-5-11(6-8-17)10-22(15,19)20/h3-4,11H,2,5-10H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyWPVJGFNWIMMFSP-UHFFFAOYSA-N
XLogP1.52
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106005646
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]azetidine-3-carboxylic acid
CID 106005643
N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 167928795
(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126425242
ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate
CID 24574536
1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 47238607
methyl 1-[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252059
(1-acetylpiperidin-4-yl)methanesulfonamide
CID 130657862
(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126437226
1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46466616
N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 100728242
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 106005540

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide (CID 119051482) is N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide is CCc1ccc(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is WPVJGFNWIMMFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-2-12-3-4-13(21-12)9-16-14(18)17-7-5-11(6-8-17)10-22(15,19)20/h3-4,11H,2,5-10H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide?
N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119051482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).