5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide

C15H26N2O2S2 — CID 106089895

IUPAC5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NCC2CCC(C)C2)s1
InChIInChI=1S/C15H26N2O2S2/c1-3-16-9-8-14-6-7-15(20-14)21(18,19)17-11-13-5-4-12(2)10-13/h6-7,12-13,16-17H,3-5,8-11H2,1-2H3
InChIKeyAVBCCKWJSKBWLI-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.61
Rot. Bonds8

About 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide

5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide (PubChem CID 106089895) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide
PubChem CID106089895
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NCC2CCC(C)C2)s1
InChIInChI=1S/C15H26N2O2S2/c1-3-16-9-8-14-6-7-15(20-14)21(18,19)17-11-13-5-4-12(2)10-13/h6-7,12-13,16-17H,3-5,8-11H2,1-2H3
InChIKeyAVBCCKWJSKBWLI-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272019
N-(cyclopentylmethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106027132
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 106135842
5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065228
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 66007182
5-[2-(methylamino)ethyl]-N-[(2-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 106018540
N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide (CID 106089895) is 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)NCC2CCC(C)C2)s1.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide?
The InChIKey is AVBCCKWJSKBWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-3-16-9-8-14-6-7-15(20-14)21(18,19)17-11-13-5-4-12(2)10-13/h6-7,12-13,16-17H,3-5,8-11H2,1-2H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide?
5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106089895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).