ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate

C16H25N3O5S2 — CID 24574536

IUPACethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)CC1
InChIInChI=1S/C16H25N3O5S2/c1-4-24-15(20)12-7-9-19(10-8-12)16(21)17-11-13-5-6-14(25-13)26(22,23)18(2)3/h5-6,12H,4,7-11H2,1-3H3,(H,17,21)
InChIKeyLXXUDTNOKZCLFR-UHFFFAOYSA-N
MW403.53 g/mol
LogP1.48
Rot. Bonds6

About ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate

ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate (PubChem CID 24574536) has the molecular formula C16H25N3O5S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate
PubChem CID24574536
Molecular FormulaC16H25N3O5S2
Molecular Weight403.53 g/mol
Exact Mass403.12
IUPAC Nameethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)CC1
InChIInChI=1S/C16H25N3O5S2/c1-4-24-15(20)12-7-9-19(10-8-12)16(21)17-11-13-5-6-14(25-13)26(22,23)18(2)3/h5-6,12H,4,7-11H2,1-3H3,(H,17,21)
InChIKeyLXXUDTNOKZCLFR-UHFFFAOYSA-N
XLogP1.48
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
CID 25348811
ethyl 1-[(5-fluoro-1-benzothiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylate
CID 60562915
1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 47238607
N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119051482
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106005646
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441757
4-benzyl-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpiperidine-1-carboximidamide
CID 111152564
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946
4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 33306976

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate (CID 24574536) is ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)CC1.
What is the InChIKey of ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate?
The InChIKey is LXXUDTNOKZCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S2/c1-4-24-15(20)12-7-9-19(10-8-12)16(21)17-11-13-5-6-14(25-13)26(22,23)18(2)3/h5-6,12H,4,7-11H2,1-3H3,(H,17,21).
What are the key properties of ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate?
ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate has a molecular weight of 403.53 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 24574536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).