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

C15H28N2O2S2 — CID 106063271

IUPACN-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC(C)C(CC)CC)cs1
InChIInChI=1S/C15H28N2O2S2/c1-5-8-16-10-14-9-15(11-20-14)21(18,19)17-12(4)13(6-2)7-3/h9,11-13,16-17H,5-8,10H2,1-4H3
InChIKeyDKUOBFGAPWYCNZ-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.35
Rot. Bonds10

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

N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106063271) 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-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106063271
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC NameN-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)NC(C)C(CC)CC)cs1
InChIInChI=1S/C15H28N2O2S2/c1-5-8-16-10-14-9-15(11-20-14)21(18,19)17-12(4)13(6-2)7-3/h9,11-13,16-17H,5-8,10H2,1-4H3
InChIKeyDKUOBFGAPWYCNZ-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'}

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Related Compounds

N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106063275
5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018941
N-[2-(2-methylpropoxy)ethyl]-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085324
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106089734
N-(3-ethylpentan-2-yl)-4-(propylamino)benzenesulfonamide
CID 63837919
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161
5-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106080295
N-(1,4-dithian-2-ylmethyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078382
N-(2-bicyclo[2.2.1]heptanyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106067708
N-(3-bromo-4-pyridinyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106075951
N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106092174
N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079565

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide (CID 106063271) is N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1cc(S(=O)(=O)NC(C)C(CC)CC)cs1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is DKUOBFGAPWYCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-5-8-16-10-14-9-15(11-20-14)21(18,19)17-12(4)13(6-2)7-3/h9,11-13,16-17H,5-8,10H2,1-4H3.
What are the key properties of N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide?
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-3-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-3-sulfonamide is sourced from PubChem (CID 106063271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).