3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide

C12H18N6O2S — CID 103306593

IUPAC3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCCc1ncn(C)n1
InChIInChI=1S/C12H18N6O2S/c1-3-13-10-5-4-7-14-12(10)21(19,20)16-8-6-11-15-9-18(2)17-11/h4-5,7,9,13,16H,3,6,8H2,1-2H3
InChIKeyDVGXYHARFHRYEY-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.16
Rot. Bonds7

About 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide

3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide (PubChem CID 103306593) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide
PubChem CID103306593
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCCc1ncn(C)n1
InChIInChI=1S/C12H18N6O2S/c1-3-13-10-5-4-7-14-12(10)21(19,20)16-8-6-11-15-9-18(2)17-11/h4-5,7,9,13,16H,3,6,8H2,1-2H3
InChIKeyDVGXYHARFHRYEY-UHFFFAOYSA-N
XLogP0.16
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-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-(2-cyclopentylethyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304931
3-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103305294
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106407708
3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103306242
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)pyridine-2-sulfonamide
CID 103306625

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide (CID 103306593) is 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NCCc1ncn(C)n1.
What is the InChIKey of 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide?
The InChIKey is DVGXYHARFHRYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-3-13-10-5-4-7-14-12(10)21(19,20)16-8-6-11-15-9-18(2)17-11/h4-5,7,9,13,16H,3,6,8H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide?
3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103306593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).