5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide

C14H19N3O2S2 — CID 106050373

IUPAC5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)c2ccc(C)s2)nc1
InChIInChI=1S/C14H19N3O2S2/c1-10-4-6-13(20-10)11(2)17-21(18,19)14-7-5-12(8-15-3)9-16-14/h4-7,9,11,15,17H,8H2,1-3H3
InChIKeyDORYRMXHHXPBMO-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.21
Rot. Bonds6

About 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide

5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide (PubChem CID 106050373) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
PubChem CID106050373
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)c2ccc(C)s2)nc1
InChIInChI=1S/C14H19N3O2S2/c1-10-4-6-13(20-10)11(2)17-21(18,19)14-7-5-12(8-15-3)9-16-14/h4-7,9,11,15,17H,8H2,1-3H3
InChIKeyDORYRMXHHXPBMO-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085091
4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050209
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106050171
N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106084685
5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
CID 106050953
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 64607266
5-(aminomethyl)-2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106050355
1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide
CID 106050246
5-(methylaminomethyl)-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 114138839

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide (CID 106050373) is 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NC(C)c2ccc(C)s2)nc1.
What is the InChIKey of 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide?
The InChIKey is DORYRMXHHXPBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10-4-6-13(20-10)11(2)17-21(18,19)14-7-5-12(8-15-3)9-16-14/h4-7,9,11,15,17H,8H2,1-3H3.
What are the key properties of 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide?
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 106050373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).