3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide

C13H17N3O2S2 — CID 103304947

IUPAC3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCc1ccc(C)s1
InChIInChI=1S/C13H17N3O2S2/c1-3-14-12-5-4-8-15-13(12)20(17,18)16-9-11-7-6-10(2)19-11/h4-8,14,16H,3,9H2,1-2H3
InChIKeyPGVZSCSWTSNRGJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.36
Rot. Bonds6

About 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide

3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide (PubChem CID 103304947) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide
PubChem CID103304947
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCc1ccc(C)s1
InChIInChI=1S/C13H17N3O2S2/c1-3-14-12-5-4-8-15-13(12)20(17,18)16-9-11-7-6-10(2)19-11/h4-8,14,16H,3,9H2,1-2H3
InChIKeyPGVZSCSWTSNRGJ-UHFFFAOYSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-sulfonamide
CID 103305089
3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide
CID 106376687
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106407708
3-(ethylamino)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 103305547
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)pyridine-2-sulfonamide
CID 103306625
3-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103305294
3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306246
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115
3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305421
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43715254
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide (CID 103304947) is 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NCc1ccc(C)s1.
What is the InChIKey of 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is PGVZSCSWTSNRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-14-12-5-4-8-15-13(12)20(17,18)16-9-11-7-6-10(2)19-11/h4-8,14,16H,3,9H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide?
3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103304947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).