2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide

C13H22N2O3S2 — CID 106093062

IUPAC2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC1CCC(OC)C1
InChIInChI=1S/C13H22N2O3S2/c1-3-14-9-12-13(6-7-19-12)20(16,17)15-10-4-5-11(8-10)18-2/h6-7,10-11,14-15H,3-5,8-9H2,1-2H3
InChIKeyPXOWFYHAZFQZCG-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.70
Rot. Bonds7

About 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide (PubChem CID 106093062) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
PubChem CID106093062
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC1CCC(OC)C1
InChIInChI=1S/C13H22N2O3S2/c1-3-14-9-12-13(6-7-19-12)20(16,17)15-10-4-5-11(8-10)18-2/h6-7,10-11,14-15H,3-5,8-9H2,1-2H3
InChIKeyPXOWFYHAZFQZCG-UHFFFAOYSA-N
XLogP1.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106093026
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091523
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 106076254
N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102971861
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106068759
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106064066
N-[2-[[(3-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
CID 114117948
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106093112
N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074074
4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106002176

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide (CID 106093062) is 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NC1CCC(OC)C1.
What is the InChIKey of 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide?
The InChIKey is PXOWFYHAZFQZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-3-14-9-12-13(6-7-19-12)20(16,17)15-10-4-5-11(8-10)18-2/h6-7,10-11,14-15H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106093062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).