2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride

C16H27ClN4O3S — CID 119907721

IUPAC2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCC(N)CC2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-12-4-5-14(10-15(12)24(22,23)19(2)3)18-16(21)11-20-8-6-13(17)7-9-20;/h4-5,10,13H,6-9,11,17H2,1-3H3,(H,18,21);1H
InChIKeyQAZPBMYZAJUZRT-UHFFFAOYSA-N
MW390.94 g/mol
LogP1.03
Rot. Bonds5

About 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride

2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride (PubChem CID 119907721) has the molecular formula C16H27ClN4O3S and a molecular weight of 390.94 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
PubChem CID119907721
Molecular FormulaC16H27ClN4O3S
Molecular Weight390.94 g/mol
Exact Mass390.15
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCC(N)CC2)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-12-4-5-14(10-15(12)24(22,23)19(2)3)18-16(21)11-20-8-6-13(17)7-9-20;/h4-5,10,13H,6-9,11,17H2,1-3H3,(H,18,21);1H
InChIKeyQAZPBMYZAJUZRT-UHFFFAOYSA-N
XLogP1.03
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 43036038
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 79323581
methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742308
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55868195
2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 100901454
2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 96535035
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16605869
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55680557

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride (CID 119907721) is 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride is Cc1ccc(NC(=O)CN2CCC(N)CC2)cc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride?
The InChIKey is QAZPBMYZAJUZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S.ClH/c1-12-4-5-14(10-15(12)24(22,23)19(2)3)18-16(21)11-20-8-6-13(17)7-9-20;/h4-5,10,13H,6-9,11,17H2,1-3H3,(H,18,21);1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride?
2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride has a molecular weight of 390.94 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119907721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).