5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide

C14H19N3O2S2 — CID 106071355

IUPAC5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccnc(C)c2)c(C)s1
InChIInChI=1S/C14H19N3O2S2/c1-4-15-9-13-8-14(11(3)20-13)21(18,19)17-12-5-6-16-10(2)7-12/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyQOPXMFUQIQHZTP-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.67
Rot. Bonds6

About 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide

5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide (PubChem CID 106071355) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
PubChem CID106071355
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccnc(C)c2)c(C)s1
InChIInChI=1S/C14H19N3O2S2/c1-4-15-9-13-8-14(11(3)20-13)21(18,19)17-12-5-6-16-10(2)7-12/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyQOPXMFUQIQHZTP-UHFFFAOYSA-N
XLogP2.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 106090175
5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106065084
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
CID 79233091
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240316
2-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-3-sulfonamide
CID 114141600
5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 106071328
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide
CID 110757506
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 79240768

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide (CID 106071355) is 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccnc(C)c2)c(C)s1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide?
The InChIKey is QOPXMFUQIQHZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-15-9-13-8-14(11(3)20-13)21(18,19)17-12-5-6-16-10(2)7-12/h5-8,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide?
5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106071355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).