N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide

C13H21N3O2S — CID 43330087

IUPACN-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
SMILESCc1cccc(N)c1NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H21N3O2S/c1-10-5-4-8-16(9-10)19(17,18)15-13-11(2)6-3-7-12(13)14/h3,6-7,10,15H,4-5,8-9,14H2,1-2H3
InChIKeyWWRMPHCYHUBJMP-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.97
Rot. Bonds3

About N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide

N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 43330087) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
PubChem CID43330087
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
SMILESCc1cccc(N)c1NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H21N3O2S/c1-10-5-4-8-16(9-10)19(17,18)15-13-11(2)6-3-7-12(13)14/h3,6-7,10,15H,4-5,8-9,14H2,1-2H3
InChIKeyWWRMPHCYHUBJMP-UHFFFAOYSA-N
XLogP1.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-bromo-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43551014
N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
CID 107802306
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 104814631
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
N-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125
N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 82861668
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830
N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43102128
N-(2-amino-6-methylphenyl)cyclohexanesulfonamide
CID 61065471

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide (CID 43330087) is N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide is Cc1cccc(N)c1NS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is WWRMPHCYHUBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-5-4-8-16(9-10)19(17,18)15-13-11(2)6-3-7-12(13)14/h3,6-7,10,15H,4-5,8-9,14H2,1-2H3.
What are the key properties of N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide?
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43330087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).