2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide

C9H15N3O2S — CID 114385023

IUPAC2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
SMILESCc1cccnc1CNCCS(N)(=O)=O
InChIInChI=1S/C9H15N3O2S/c1-8-3-2-4-12-9(8)7-11-5-6-15(10,13)14/h2-4,11H,5-7H2,1H3,(H2,10,13,14)
InChIKeyHUJCQZKJXWDMRE-UHFFFAOYSA-N
MW229.31 g/mol
LogP-0.23
Rot. Bonds5

About 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide

2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide (PubChem CID 114385023) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
PubChem CID114385023
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
SMILESCc1cccnc1CNCCS(N)(=O)=O
InChIInChI=1S/C9H15N3O2S/c1-8-3-2-4-12-9(8)7-11-5-6-15(10,13)14/h2-4,11H,5-7H2,1H3,(H2,10,13,14)
InChIKeyHUJCQZKJXWDMRE-UHFFFAOYSA-N
XLogP-0.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63305984
N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 106336628
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
CID 114384819
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 107320423
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106238176
2-(4-bromophenoxy)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305980
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127
N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63309364
4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
CID 116816179
2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine
CID 112651586
N-[(3-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400057

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide (CID 114385023) is 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide is Cc1cccnc1CNCCS(N)(=O)=O.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide?
The InChIKey is HUJCQZKJXWDMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-8-3-2-4-12-9(8)7-11-5-6-15(10,13)14/h2-4,11H,5-7H2,1H3,(H2,10,13,14).
What are the key properties of 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide?
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide has a molecular weight of 229.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 114385023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).