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

C9H15N3O3S — CID 114384819

IUPAC2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
SMILESCOc1ncccc1CNCCS(N)(=O)=O
InChIInChI=1S/C9H15N3O3S/c1-15-9-8(3-2-4-12-9)7-11-5-6-16(10,13)14/h2-4,11H,5-7H2,1H3,(H2,10,13,14)
InChIKeyOCACFSQQYGDNDW-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.53
Rot. Bonds6

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

2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide (PubChem CID 114384819) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
PubChem CID114384819
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
SMILESCOc1ncccc1CNCCS(N)(=O)=O
InChIInChI=1S/C9H15N3O3S/c1-15-9-8(3-2-4-12-9)7-11-5-6-16(10,13)14/h2-4,11H,5-7H2,1H3,(H2,10,13,14)
InChIKeyOCACFSQQYGDNDW-UHFFFAOYSA-N
XLogP-0.53
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
2-[(3-methyl-2-pyridinyl)methylamino]ethanesulfonamide
CID 114385023
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
3-chloro-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]butan-1-amine
CID 106242391
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515582
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide (CID 114384819) is 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide is COc1ncccc1CNCCS(N)(=O)=O.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide?
The InChIKey is OCACFSQQYGDNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-15-9-8(3-2-4-12-9)7-11-5-6-16(10,13)14/h2-4,11H,5-7H2,1H3,(H2,10,13,14).
What are the key properties of 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide?
2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 114384819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).