2-(4-methoxybutylsulfonyl)pyridin-3-amine

C10H16N2O3S — CID 104648972

IUPAC2-(4-methoxybutylsulfonyl)pyridin-3-amine
SMILESCOCCCCS(=O)(=O)c1ncccc1N
InChIInChI=1S/C10H16N2O3S/c1-15-7-2-3-8-16(13,14)10-9(11)5-4-6-12-10/h4-6H,2-3,7-8,11H2,1H3
InChIKeyQVNMFCJRHMDZAS-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.86
Rot. Bonds6

About 2-(4-methoxybutylsulfonyl)pyridin-3-amine

2-(4-methoxybutylsulfonyl)pyridin-3-amine (PubChem CID 104648972) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(4-methoxybutylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-methoxybutylsulfonyl)pyridin-3-amine
PubChem CID104648972
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-(4-methoxybutylsulfonyl)pyridin-3-amine
SMILESCOCCCCS(=O)(=O)c1ncccc1N
InChIInChI=1S/C10H16N2O3S/c1-15-7-2-3-8-16(13,14)10-9(11)5-4-6-12-10/h4-6H,2-3,7-8,11H2,1H3
InChIKeyQVNMFCJRHMDZAS-UHFFFAOYSA-N
XLogP0.86
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-methoxybutyl)pyridine-2-sulfonamide
CID 103305180
3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676
2-(3,3-dimethylbutylsulfonyl)pyridin-3-amine
CID 61481273
2-(2-tert-butylsulfonylethylsulfonyl)pyridin-3-amine
CID 106728941
2-(2-pyridin-4-ylethylsulfonyl)pyridin-3-amine
CID 61366697
3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103305073
2-[(3-amino-2-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid
CID 166400276
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-[(3-amino-2-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 103307140
1-[2-[(3-amino-2-pyridinyl)sulfonyl]ethyl]pyridin-2-one
CID 82907799
4-ethoxy-2-(4-methoxybutylsulfonyl)aniline
CID 104650980

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutylsulfonyl)pyridin-3-amine?
The IUPAC name of 2-(4-methoxybutylsulfonyl)pyridin-3-amine (CID 104648972) is 2-(4-methoxybutylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 2-(4-methoxybutylsulfonyl)pyridin-3-amine?
The canonical SMILES for 2-(4-methoxybutylsulfonyl)pyridin-3-amine is COCCCCS(=O)(=O)c1ncccc1N.
What is the InChIKey of 2-(4-methoxybutylsulfonyl)pyridin-3-amine?
The InChIKey is QVNMFCJRHMDZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-15-7-2-3-8-16(13,14)10-9(11)5-4-6-12-10/h4-6H,2-3,7-8,11H2,1H3.
What are the key properties of 2-(4-methoxybutylsulfonyl)pyridin-3-amine?
2-(4-methoxybutylsulfonyl)pyridin-3-amine has a molecular weight of 244.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 104648972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).