N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide

C16H25N3O3S — CID 120622886

IUPACN-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCc1ccc(N)cc1C(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-12-6-7-13(17)11-15(12)16(20)19-10-4-3-5-14(19)8-9-18-23(2,21)22/h6-7,11,14,18H,3-5,8-10,17H2,1-2H3
InChIKeyZTGIYVISMOLNCD-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.51
Rot. Bonds5

About N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 120622886) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID120622886
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCc1ccc(N)cc1C(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-12-6-7-13(17)11-15(12)16(20)19-10-4-3-5-14(19)8-9-18-23(2,21)22/h6-7,11,14,18H,3-5,8-10,17H2,1-2H3
InChIKeyZTGIYVISMOLNCD-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
N-[[1-(4-amino-2-chlorobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722447
3-[(2S)-1-(2-methyl-5-methylsulfonylbenzoyl)piperidin-2-yl]propanoic acid
CID 125118075
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 87047179
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
N-ethyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-4-methylbenzenesulfonamide
CID 34286430
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-ethyl-4-methylbenzenesulfonamide;hydrochloride
CID 119466557
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide (CID 120622886) is N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide is Cc1ccc(N)cc1C(=O)N1CCCCC1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is ZTGIYVISMOLNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-6-7-13(17)11-15(12)16(20)19-10-4-3-5-14(19)8-9-18-23(2,21)22/h6-7,11,14,18H,3-5,8-10,17H2,1-2H3.
What are the key properties of N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 120622886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).