N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide

C13H17N3O2S2 — CID 106015015

IUPACN-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cnccc2NC)s1
InChIInChI=1S/C13H17N3O2S2/c1-3-10-4-5-11(19-10)8-16-20(17,18)13-9-15-7-6-12(13)14-2/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyFCMBYKKMQMXDAX-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.23
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide

N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 106015015) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
PubChem CID106015015
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cnccc2NC)s1
InChIInChI=1S/C13H17N3O2S2/c1-3-10-4-5-11(19-10)8-16-20(17,18)13-9-15-7-6-12(13)14-2/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyFCMBYKKMQMXDAX-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957462
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 79238403
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64582352
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
CID 106011763
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106094652
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957452
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106006763
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
4-hydrazinyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 114128380

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide (CID 106015015) is N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide is CCc1ccc(CNS(=O)(=O)c2cnccc2NC)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is FCMBYKKMQMXDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-10-4-5-11(19-10)8-16-20(17,18)13-9-15-7-6-12(13)14-2/h4-7,9,16H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide?
N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 106015015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).