3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide

C10H17N3O2S2 — CID 103306115

IUPAC3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCCSC
InChIInChI=1S/C10H17N3O2S2/c1-3-11-9-5-4-6-12-10(9)17(14,15)13-7-8-16-2/h4-6,11,13H,3,7-8H2,1-2H3
InChIKeyBBKCBEFNCMVVFX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.15
Rot. Bonds7

About 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide

3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide (PubChem CID 103306115) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
PubChem CID103306115
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCCSC
InChIInChI=1S/C10H17N3O2S2/c1-3-11-9-5-4-6-12-10(9)17(14,15)13-7-8-16-2/h4-6,11,13H,3,7-8H2,1-2H3
InChIKeyBBKCBEFNCMVVFX-UHFFFAOYSA-N
XLogP1.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.15
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-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(2-cyclopentylethyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304931
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide
CID 103304330
3-(ethylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-2-sulfonamide
CID 103307155
3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide
CID 107642917
3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide
CID 103306593
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)pyridine-2-sulfonamide
CID 103306625
N-butyl-3-hydrazinylpyridine-2-sulfonamide
CID 103300794
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
3-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103305294
3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide
CID 103304947
3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306246

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide (CID 103306115) is 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NCCSC.
What is the InChIKey of 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide?
The InChIKey is BBKCBEFNCMVVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-3-11-9-5-4-6-12-10(9)17(14,15)13-7-8-16-2/h4-6,11,13H,3,7-8H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide?
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide has a molecular weight of 275.40 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103306115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).