5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

C13H20ClN3O3S2 — CID 122161786

IUPAC5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H20ClN3O3S2/c1-16(2)22(19,20)17-7-5-10(6-8-17)9-15-13(18)11-3-4-12(14)21-11/h3-4,10H,5-9H2,1-2H3,(H,15,18)
InChIKeyGOALUVOIBCCUPG-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.65
Rot. Bonds5

About 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 122161786) has the molecular formula C13H20ClN3O3S2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID122161786
Molecular FormulaC13H20ClN3O3S2
Molecular Weight365.91 g/mol
Exact Mass365.06
IUPAC Name5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H20ClN3O3S2/c1-16(2)22(19,20)17-7-5-10(6-8-17)9-15-13(18)11-3-4-12(14)21-11/h3-4,10H,5-9H2,1-2H3,(H,15,18)
InChIKeyGOALUVOIBCCUPG-UHFFFAOYSA-N
XLogP1.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (CID 122161786) is 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is CN(C)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is GOALUVOIBCCUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S2/c1-16(2)22(19,20)17-7-5-10(6-8-17)9-15-13(18)11-3-4-12(14)21-11/h3-4,10H,5-9H2,1-2H3,(H,15,18).
What are the key properties of 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 365.91 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 122161786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).