N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide

C15H28N2O2S2 — CID 106063275

IUPACN-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC(C)C(CC)CC)s1
InChIInChI=1S/C15H28N2O2S2/c1-5-10-16-11-14-8-9-15(20-14)21(18,19)17-12(4)13(6-2)7-3/h8-9,12-13,16-17H,5-7,10-11H2,1-4H3
InChIKeyVYUHNAFUOVRGHK-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.35
Rot. Bonds10

About N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide

N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106063275) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106063275
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC NameN-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NC(C)C(CC)CC)s1
InChIInChI=1S/C15H28N2O2S2/c1-5-10-16-11-14-8-9-15(20-14)21(18,19)17-12(4)13(6-2)7-3/h8-9,12-13,16-17H,5-7,10-11H2,1-4H3
InChIKeyVYUHNAFUOVRGHK-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106063271
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
N-[1-(1H-imidazol-2-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106085013
N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061369
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106082756
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 115754871
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 106063275) is N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)NC(C)C(CC)CC)s1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is VYUHNAFUOVRGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-5-10-16-11-14-8-9-15(20-14)21(18,19)17-12(4)13(6-2)7-3/h8-9,12-13,16-17H,5-7,10-11H2,1-4H3.
What are the key properties of N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 332.54 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106063275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).