N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

C16H26N4O3S — CID 119384344

IUPACN-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCN)c1
InChIInChI=1S/C16H26N4O3S/c1-19(2)24(22,23)13-6-7-15(20-10-4-3-5-11-20)14(12-13)16(21)18-9-8-17/h6-7,12H,3-5,8-11,17H2,1-2H3,(H,18,21)
InChIKeyZFUVVQOATVPLLF-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.62
Rot. Bonds6

About N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (PubChem CID 119384344) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
PubChem CID119384344
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCN)c1
InChIInChI=1S/C16H26N4O3S/c1-19(2)24(22,23)13-6-7-15(20-10-4-3-5-11-20)14(12-13)16(21)18-9-8-17/h6-7,12H,3-5,8-11,17H2,1-2H3,(H,18,21)
InChIKeyZFUVVQOATVPLLF-UHFFFAOYSA-N
XLogP0.62
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 55908803
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 16558784
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 31737983
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514587
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (CID 119384344) is N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The InChIKey is ZFUVVQOATVPLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-19(2)24(22,23)13-6-7-15(20-10-4-3-5-11-20)14(12-13)16(21)18-9-8-17/h6-7,12H,3-5,8-11,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide has a molecular weight of 354.48 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 119384344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).