N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide

C14H19N3O2S2 — CID 106076088

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)c1csc(CNC)c1
InChIInChI=1S/C14H19N3O2S2/c1-3-11-5-4-6-16-14(11)9-17-21(18,19)13-7-12(8-15-2)20-10-13/h4-7,10,15,17H,3,8-9H2,1-2H3
InChIKeyNZKDAUVSYLDSIR-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.90
Rot. Bonds7

About N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide

N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106076088) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106076088
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)c1csc(CNC)c1
InChIInChI=1S/C14H19N3O2S2/c1-3-11-5-4-6-16-14(11)9-17-21(18,19)13-7-12(8-15-2)20-10-13/h4-7,10,15,17H,3,8-9H2,1-2H3
InChIKeyNZKDAUVSYLDSIR-UHFFFAOYSA-N
XLogP1.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556
5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 82732518
N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059386
N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 82736468
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106076084
3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide
CID 167795356
5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018213
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141007
4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide
CID 116528774
4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106065592
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106076088) is N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide is CCc1cccnc1CNS(=O)(=O)c1csc(CNC)c1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is NZKDAUVSYLDSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-11-5-4-6-16-14(11)9-17-21(18,19)13-7-12(8-15-2)20-10-13/h4-7,10,15,17H,3,8-9H2,1-2H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106076088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).