1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide

C14H17N3O2S — CID 60978443

IUPAC1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1cccnc1NS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C14H17N3O2S/c1-11-4-3-7-16-14(11)17-20(18,19)10-13-6-2-5-12(8-13)9-15/h2-8H,9-10,15H2,1H3,(H,16,17)
InChIKeyKRFCUWARZDFCEQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.79
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide (PubChem CID 60978443) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide
PubChem CID60978443
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1cccnc1NS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C14H17N3O2S/c1-11-4-3-7-16-14(11)17-20(18,19)10-13-6-2-5-12(8-13)9-15/h2-8H,9-10,15H2,1H3,(H,16,17)
InChIKeyKRFCUWARZDFCEQ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide
CID 106062175
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
CID 116786572
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide
CID 106076529
2-(4-methoxyphenoxy)-N-(3-methyl-2-pyridinyl)ethanesulfonamide
CID 90518353
N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
CID 66677968
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 106037003
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide (CID 60978443) is 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide is Cc1cccnc1NS(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide?
The InChIKey is KRFCUWARZDFCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-4-3-7-16-14(11)17-20(18,19)10-13-6-2-5-12(8-13)9-15/h2-8H,9-10,15H2,1H3,(H,16,17).
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 60978443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).