N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride

C17H27ClN4O4S — CID 119468711

IUPACN-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCCCC2CN)cc1.Cl
InChIInChI=1S/C17H26N4O4S.ClH/c1-12(17(23)21-10-4-3-5-15(21)11-18)20-26(24,25)16-8-6-14(7-9-16)19-13(2)22;/h6-9,12,15,20H,3-5,10-11,18H2,1-2H3,(H,19,22);1H
InChIKeyZETWBTWNURKGMN-UHFFFAOYSA-N
MW418.95 g/mol
LogP1.07
Rot. Bonds6

About N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride

N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride (PubChem CID 119468711) has the molecular formula C17H27ClN4O4S and a molecular weight of 418.95 g/mol. Its IUPAC name is N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
PubChem CID119468711
Molecular FormulaC17H27ClN4O4S
Molecular Weight418.95 g/mol
Exact Mass418.14
IUPAC NameN-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCCCC2CN)cc1.Cl
InChIInChI=1S/C17H26N4O4S.ClH/c1-12(17(23)21-10-4-3-5-15(21)11-18)20-26(24,25)16-8-6-14(7-9-16)19-13(2)22;/h6-9,12,15,20H,3-5,10-11,18H2,1-2H3,(H,19,22);1H
InChIKeyZETWBTWNURKGMN-UHFFFAOYSA-N
XLogP1.07
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 119632871
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 119469373
N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119468177
N-[4-[[(2S)-1-(4-cyclopentylpiperazin-1-yl)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55939164
1-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119354774
N-[4-[[(2S)-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55955686
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55972269
2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride
CID 119616338
4-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl]morpholine-3-carboxylic acid
CID 119215921
N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 119468615
2-[4-[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55936116
1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 119176050

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride (CID 119468711) is N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)N2CCCCC2CN)cc1.Cl.
What is the InChIKey of N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride?
The InChIKey is ZETWBTWNURKGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S.ClH/c1-12(17(23)21-10-4-3-5-15(21)11-18)20-26(24,25)16-8-6-14(7-9-16)19-13(2)22;/h6-9,12,15,20H,3-5,10-11,18H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride?
N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride has a molecular weight of 418.95 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119468711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).