N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide

C15H28N2O2S2 — CID 103466053

IUPACN-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NCC(C)(C)CC)s1
InChIInChI=1S/C15H28N2O2S2/c1-5-10-16-11-9-13-7-8-14(20-13)21(18,19)17-12-15(3,4)6-2/h7-8,16-17H,5-6,9-12H2,1-4H3
InChIKeyNPFQYUSSMDYSEZ-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.00
Rot. Bonds10

About N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide

N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 103466053) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
PubChem CID103466053
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC NameN-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NCC(C)(C)CC)s1
InChIInChI=1S/C15H28N2O2S2/c1-5-10-16-11-9-13-7-8-14(20-13)21(18,19)17-12-15(3,4)6-2/h7-8,16-17H,5-6,9-12H2,1-4H3
InChIKeyNPFQYUSSMDYSEZ-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.00
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-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106080923
N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106424030
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
CID 106080577
5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106089895
5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 63687132
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106092326
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
5-ethyl-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 110664046

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide (CID 103466053) is N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide is CCCNCCc1ccc(S(=O)(=O)NCC(C)(C)CC)s1.
What is the InChIKey of N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is NPFQYUSSMDYSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-5-10-16-11-9-13-7-8-14(20-13)21(18,19)17-12-15(3,4)6-2/h7-8,16-17H,5-6,9-12H2,1-4H3.
What are the key properties of N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 332.54 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 103466053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).