N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

C16H25N3O3S — CID 119384497

IUPACN-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)NCCN
InChIInChI=1S/C16H25N3O3S/c1-12-6-7-14(11-15(12)16(20)18-9-8-17)23(21,22)19-10-4-3-5-13(19)2/h6-7,11,13H,3-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyXDJRXDOWNSSQIA-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.25
Rot. Bonds5

About N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 119384497) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID119384497
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)NCCN
InChIInChI=1S/C16H25N3O3S/c1-12-6-7-14(11-15(12)16(20)18-9-8-17)23(21,22)19-10-4-3-5-13(19)2/h6-7,11,13H,3-5,8-10,17H2,1-2H3,(H,18,20)
InChIKeyXDJRXDOWNSSQIA-UHFFFAOYSA-N
XLogP1.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119616294
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 47729092
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
CID 55609673
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463183
methyl (2S)-3-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 55942554
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
N-[3-[[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863012
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46819861

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 119384497) is N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is XDJRXDOWNSSQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-6-7-14(11-15(12)16(20)18-9-8-17)23(21,22)19-10-4-3-5-13(19)2/h6-7,11,13H,3-5,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 119384497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).