5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide

C14H25N3O2S2 — CID 106017747

IUPAC5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC2CCCN(C)C2)cc1C
InChIInChI=1S/C14H25N3O2S2/c1-4-15-9-13-11(2)8-14(20-13)21(18,19)16-12-6-5-7-17(3)10-12/h8,12,15-16H,4-7,9-10H2,1-3H3
InChIKeyOCHXBCZHSYKVNO-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.54
Rot. Bonds6

About 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide

5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide (PubChem CID 106017747) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide
PubChem CID106017747
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC2CCCN(C)C2)cc1C
InChIInChI=1S/C14H25N3O2S2/c1-4-15-9-13-11(2)8-14(20-13)21(18,19)16-12-6-5-7-17(3)10-12/h8,12,15-16H,4-7,9-10H2,1-3H3
InChIKeyOCHXBCZHSYKVNO-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025123
5-(ethylaminomethyl)-4-methyl-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551969
5-(ethylaminomethyl)-4-methyl-N-(3-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 106092143
5-(ethylaminomethyl)-1-methyl-N-(1-methylpiperidin-3-yl)pyrrole-3-sulfonamide
CID 106017836
N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106069035
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106072586
5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
5-(ethylaminomethyl)-4-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106030879
2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62146904
N-(1-cyclobutylethyl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106084948
N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106068843

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide (CID 106017747) is 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)NC2CCCN(C)C2)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide?
The InChIKey is OCHXBCZHSYKVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-15-9-13-11(2)8-14(20-13)21(18,19)16-12-6-5-7-17(3)10-12/h8,12,15-16H,4-7,9-10H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide?
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106017747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).