4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide

C14H17N3O2S — CID 63008707

IUPAC4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(CN)cc2)cn1
InChIInChI=1S/C14H17N3O2S/c1-11-2-3-13(9-16-11)10-17-20(18,19)14-6-4-12(8-15)5-7-14/h2-7,9,17H,8,10,15H2,1H3
InChIKeyALKASMJJCVDTER-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.33
Rot. Bonds5

About 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide

4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 63008707) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID63008707
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(CN)cc2)cn1
InChIInChI=1S/C14H17N3O2S/c1-11-2-3-13(9-16-11)10-17-20(18,19)14-6-4-12(8-15)5-7-14/h2-7,9,17H,8,10,15H2,1H3
InChIKeyALKASMJJCVDTER-UHFFFAOYSA-N
XLogP1.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106062675
5-(aminomethyl)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106062661
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
CID 47215825
4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 65479645
4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62996039
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
4-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824323
N-[(2R)-1-aminopropan-2-yl]-6-methylpyridine-3-sulfonamide
CID 120712871
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide (CID 63008707) is 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(CN)cc2)cn1.
What is the InChIKey of 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is ALKASMJJCVDTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-2-3-13(9-16-11)10-17-20(18,19)14-6-4-12(8-15)5-7-14/h2-7,9,17H,8,10,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide?
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63008707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).