N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide

C15H26N2O2S2 — CID 106069035

IUPACN-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC2CCC(C)C2C)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-5-16-9-14-11(3)8-15(20-14)21(18,19)17-13-7-6-10(2)12(13)4/h8,10,12-13,16-17H,5-7,9H2,1-4H3
InChIKeyWKXTYKOKLDWPEQ-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.88
Rot. Bonds6

About N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide

N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106069035) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
PubChem CID106069035
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)NC2CCC(C)C2C)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-5-16-9-14-11(3)8-15(20-14)21(18,19)17-13-7-6-10(2)12(13)4/h8,10,12-13,16-17H,5-7,9H2,1-4H3
InChIKeyWKXTYKOKLDWPEQ-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N-(2,4-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106063403
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide
CID 106017747
5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
CID 106063436
5-(ethylaminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106296004
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
5-(ethylaminomethyl)-4-methyl-N-(5-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106087972
5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide (CID 106069035) is N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)NC2CCC(C)C2C)cc1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is WKXTYKOKLDWPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-16-9-14-11(3)8-15(20-14)21(18,19)17-13-7-6-10(2)12(13)4/h8,10,12-13,16-17H,5-7,9H2,1-4H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide?
N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106069035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).