2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide

C13H24N2O2S2 — CID 106032001

IUPAC2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NC(CC)CC
InChIInChI=1S/C13H24N2O2S2/c1-5-11(6-2)15-19(16,17)13-10(4)9-18-12(13)8-14-7-3/h9,11,14-15H,5-8H2,1-4H3
InChIKeyZBEPOIOHBBDVLB-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.63
Rot. Bonds8

About 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide

2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide (PubChem CID 106032001) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
PubChem CID106032001
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NC(CC)CC
InChIInChI=1S/C13H24N2O2S2/c1-5-11(6-2)15-19(16,17)13-10(4)9-18-12(13)8-14-7-3/h9,11,14-15H,5-8H2,1-4H3
InChIKeyZBEPOIOHBBDVLB-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
CID 106068456
4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084023
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102753134
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide (CID 106032001) is 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)NC(CC)CC.
What is the InChIKey of 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide?
The InChIKey is ZBEPOIOHBBDVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-5-11(6-2)15-19(16,17)13-10(4)9-18-12(13)8-14-7-3/h9,11,14-15H,5-8H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide?
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide has a molecular weight of 304.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide is sourced from PubChem (CID 106032001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).