N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide

C14H23N3O3S2 — CID 122161831

IUPACN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-16(2)22(19,20)17-6-3-12(4-7-17)10-15-14(18)9-13-5-8-21-11-13/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,15,18)
InChIKeyKPUWBVVLEUKOSL-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.93
Rot. Bonds6

About N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide

N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 122161831) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID122161831
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-16(2)22(19,20)17-6-3-12(4-7-17)10-15-14(18)9-13-5-8-21-11-13/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,15,18)
InChIKeyKPUWBVVLEUKOSL-UHFFFAOYSA-N
XLogP0.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 122161796
3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide
CID 126853012
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 122161792
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72854361
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122161827
N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976875
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[(2-thiophen-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetate
CID 165423679

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide (CID 122161831) is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide is CN(C)S(=O)(=O)N1CCC(CNC(=O)Cc2ccsc2)CC1.
What is the InChIKey of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is KPUWBVVLEUKOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-16(2)22(19,20)17-6-3-12(4-7-17)10-15-14(18)9-13-5-8-21-11-13/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,15,18).
What are the key properties of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 345.49 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 122161831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).