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

C12H16N4O2S2 — CID 103305937

IUPAC3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)NCCc1nc(C)cs1
InChIInChI=1S/C12H16N4O2S2/c1-9-8-19-11(16-9)5-7-15-20(17,18)12-10(13-2)4-3-6-14-12/h3-4,6,8,13,15H,5,7H2,1-2H3
InChIKeyGDBUSIBGNCFCHZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.41
Rot. Bonds6

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

3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide (PubChem CID 103305937) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide
PubChem CID103305937
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)NCCc1nc(C)cs1
InChIInChI=1S/C12H16N4O2S2/c1-9-8-19-11(16-9)5-7-15-20(17,18)12-10(13-2)4-3-6-14-12/h3-4,6,8,13,15H,5,7H2,1-2H3
InChIKeyGDBUSIBGNCFCHZ-UHFFFAOYSA-N
XLogP1.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 63245102
N-[2-(4-hydroxyphenyl)ethyl]-3-(methylamino)pyridine-2-sulfonamide
CID 103305004
3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106407931
3-(methylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-sulfonamide
CID 106408023
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
N-(4,6-dimethylpyrimidin-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303013
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-8-amine
CID 82538975
3-(methylamino)-N-(6-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303467
2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethyl carbamate
CID 103306938
4-(cyanomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79203421
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide (CID 103305937) is 3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)NCCc1nc(C)cs1.
What is the InChIKey of 3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide?
The InChIKey is GDBUSIBGNCFCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-9-8-19-11(16-9)5-7-15-20(17,18)12-10(13-2)4-3-6-14-12/h3-4,6,8,13,15H,5,7H2,1-2H3.
What are the key properties of 3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide?
3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103305937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).