N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide

C12H21N3O3S — CID 106072665

IUPACN-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCCCNC)cn1
InChIInChI=1S/C12H21N3O3S/c1-3-18-12-7-6-11(10-14-12)15-19(16,17)9-5-4-8-13-2/h6-7,10,13,15H,3-5,8-9H2,1-2H3
InChIKeyAWDHOFUTDSHMTG-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.22
Rot. Bonds9

About N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide

N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 106072665) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID106072665
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC NameN-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCCCNC)cn1
InChIInChI=1S/C12H21N3O3S/c1-3-18-12-7-6-11(10-14-12)15-19(16,17)9-5-4-8-13-2/h6-7,10,13,15H,3-5,8-9H2,1-2H3
InChIKeyAWDHOFUTDSHMTG-UHFFFAOYSA-N
XLogP1.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.22
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

N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106072666
4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
CID 106072696
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
CID 116815594
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
N-[6-(2-methoxyethoxy)-3-pyridinyl]propane-1-sulfonamide
CID 64591758
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106059504
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
2-(4-fluorophenoxy)-N-(6-methoxy-3-pyridinyl)ethanesulfonamide
CID 110301907

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide (CID 106072665) is N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide is CCOc1ccc(NS(=O)(=O)CCCCNC)cn1.
What is the InChIKey of N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is AWDHOFUTDSHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-18-12-7-6-11(10-14-12)15-19(16,17)9-5-4-8-13-2/h6-7,10,13,15H,3-5,8-9H2,1-2H3.
What are the key properties of N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide?
N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106072665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).