N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide

C13H22N2O3S2 — CID 106064530

IUPACN-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCOC2CCCC2)s1
InChIInChI=1S/C13H22N2O3S2/c1-14-10-12-6-7-13(19-12)20(16,17)15-8-9-18-11-4-2-3-5-11/h6-7,11,14-15H,2-5,8-10H2,1H3
InChIKeyFGRUORVAXCUWGC-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.71
Rot. Bonds8

About N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide

N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106064530) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106064530
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC NameN-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCOC2CCCC2)s1
InChIInChI=1S/C13H22N2O3S2/c1-14-10-12-6-7-13(19-12)20(16,17)15-8-9-18-11-4-2-3-5-11/h6-7,11,14-15H,2-5,8-10H2,1H3
InChIKeyFGRUORVAXCUWGC-UHFFFAOYSA-N
XLogP1.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
N-(2,2-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071372
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 106089015
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321
5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 114142216
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087833

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106064530) is N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCOC2CCCC2)s1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is FGRUORVAXCUWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-14-10-12-6-7-13(19-12)20(16,17)15-8-9-18-11-4-2-3-5-11/h6-7,11,14-15H,2-5,8-10H2,1H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106064530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).