4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide

C13H23N3O3S — CID 106000823

IUPAC4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C13H23N3O3S/c1-3-14-8-4-5-9-20(17,18)16-11-12-6-7-13(19-2)15-10-12/h6-7,10,14,16H,3-5,8-9,11H2,1-2H3
InChIKeyBJLFZSIKVMVSQS-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.90
Rot. Bonds10

About 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide

4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide (PubChem CID 106000823) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide
PubChem CID106000823
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C13H23N3O3S/c1-3-14-8-4-5-9-20(17,18)16-11-12-6-7-13(19-2)15-10-12/h6-7,10,14,16H,3-5,8-9,11H2,1-2H3
InChIKeyBJLFZSIKVMVSQS-UHFFFAOYSA-N
XLogP0.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide
CID 107651707
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
CID 106088955
N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106058733
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
2-tert-butylsulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 105006850
N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106089579
4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide
CID 106083535
N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 114936342
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide (CID 106000823) is 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide is CCNCCCCS(=O)(=O)NCc1ccc(OC)nc1.
What is the InChIKey of 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide?
The InChIKey is BJLFZSIKVMVSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-14-8-4-5-9-20(17,18)16-11-12-6-7-13(19-2)15-10-12/h6-7,10,14,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide?
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106000823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).