5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide

C12H21N3O4S2 — CID 79846057

IUPAC5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(C)CCS(C)(=O)=O)nc1
InChIInChI=1S/C12H21N3O4S2/c1-4-13-9-11-5-6-12(14-10-11)21(18,19)15(2)7-8-20(3,16)17/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyCOZBEPYJGFMDRP-UHFFFAOYSA-N
MW335.45 g/mol
LogP-0.14
Rot. Bonds8

About 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide

5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide (PubChem CID 79846057) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
PubChem CID79846057
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(C)CCS(C)(=O)=O)nc1
InChIInChI=1S/C12H21N3O4S2/c1-4-13-9-11-5-6-12(14-10-11)21(18,19)15(2)7-8-20(3,16)17/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyCOZBEPYJGFMDRP-UHFFFAOYSA-N
XLogP-0.14
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridine-2-sulfonamide
CID 103340666
5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide
CID 106088578
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521
5-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 106080557
5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide
CID 54857460
5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106016201
5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide
CID 106066707
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 79864717
5-(ethylaminomethyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106051487
2-[[5-(ethylaminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 80630489
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide (CID 79846057) is 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide is CCNCc1ccc(S(=O)(=O)N(C)CCS(C)(=O)=O)nc1.
What is the InChIKey of 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide?
The InChIKey is COZBEPYJGFMDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-4-13-9-11-5-6-12(14-10-11)21(18,19)15(2)7-8-20(3,16)17/h5-6,10,13H,4,7-9H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide?
5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide has a molecular weight of 335.45 g/mol, XLogP of -0.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 79846057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).