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

C13H23N3O2S — CID 106083535

IUPAC4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCc1ccncc1C
InChIInChI=1S/C13H23N3O2S/c1-3-14-7-4-5-9-19(17,18)16-11-13-6-8-15-10-12(13)2/h6,8,10,14,16H,3-5,7,9,11H2,1-2H3
InChIKeyIJUFUVRPOUFHRE-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.20
Rot. Bonds9

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

4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide (PubChem CID 106083535) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide
PubChem CID106083535
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCc1ccncc1C
InChIInChI=1S/C13H23N3O2S/c1-3-14-7-4-5-9-19(17,18)16-11-13-6-8-15-10-12(13)2/h6,8,10,14,16H,3-5,7,9,11H2,1-2H3
InChIKeyIJUFUVRPOUFHRE-UHFFFAOYSA-N
XLogP1.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.20
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

4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine
CID 106083594
N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 114701089
N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272322
methyl 4-[(4-methyl-3-pyridinyl)methylsulfamoyl]butanoate
CID 114954662
N-[(3-methyl-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106083583
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide
CID 106000823
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide
CID 106062043
3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
CID 106088955
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide
CID 114142279

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide (CID 106083535) is 4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide is CCNCCCCS(=O)(=O)NCc1ccncc1C.
What is the InChIKey of 4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide?
The InChIKey is IJUFUVRPOUFHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-14-7-4-5-9-19(17,18)16-11-13-6-8-15-10-12(13)2/h6,8,10,14,16H,3-5,7,9,11H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide?
4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106083535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).