N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide

C14H26N2O3S2 — CID 106017589

IUPACN-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cc(CNCCC)cs1
InChIInChI=1S/C14H26N2O3S2/c1-3-5-8-19-9-7-16-21(17,18)14-10-13(12-20-14)11-15-6-4-2/h10,12,15-16H,3-9,11H2,1-2H3
InChIKeyFXLUPMXRELIEJK-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.34
Rot. Bonds12

About N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide

N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106017589) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106017589
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC NameN-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cc(CNCCC)cs1
InChIInChI=1S/C14H26N2O3S2/c1-3-5-8-19-9-7-16-21(17,18)14-10-13(12-20-14)11-15-6-4-2/h10,12,15-16H,3-9,11H2,1-2H3
InChIKeyFXLUPMXRELIEJK-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.34
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

4-amino-N-(2-butoxyethyl)thiophene-2-sulfonamide
CID 61301356
N-(3-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106066323
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106091614
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-(2-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106077840
N-(1-methoxybutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106068312
N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106085215
N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106091189
N-[1-(dimethylamino)propan-2-yl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106074405
N-(1-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106083905
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide (CID 106017589) is N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide is CCCCOCCNS(=O)(=O)c1cc(CNCCC)cs1.
What is the InChIKey of N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is FXLUPMXRELIEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-3-5-8-19-9-7-16-21(17,18)14-10-13(12-20-14)11-15-6-4-2/h10,12,15-16H,3-9,11H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.34, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106017589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).