4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide

C13H22N2O3S2 — CID 106072586

IUPAC4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1sc(S(=O)(=O)NC2CCOC2)cc1C
InChIInChI=1S/C13H22N2O3S2/c1-3-5-14-8-12-10(2)7-13(19-12)20(16,17)15-11-4-6-18-9-11/h7,11,14-15H,3-6,8-9H2,1-2H3
InChIKeyZCUGCDHTQHXAFN-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.62
Rot. Bonds7

About 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide

4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106072586) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106072586
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1sc(S(=O)(=O)NC2CCOC2)cc1C
InChIInChI=1S/C13H22N2O3S2/c1-3-5-14-8-12-10(2)7-13(19-12)20(16,17)15-11-4-6-18-9-11/h7,11,14-15H,3-6,8-9H2,1-2H3
InChIKeyZCUGCDHTQHXAFN-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.62
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

2-bromo-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106072392
5-(ethylaminomethyl)-4-methyl-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551969
N-(1-cyclobutylethyl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106084948
5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
5-(ethylaminomethyl)-4-methyl-N-(3-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 106092143
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025123
2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 106072319
4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106075417
4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
CID 106093906
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106079253
5-(ethylaminomethyl)-4-methyl-N-(1-methylpiperidin-3-yl)thiophene-2-sulfonamide
CID 106017747
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 79931227

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 106072586) is 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1sc(S(=O)(=O)NC2CCOC2)cc1C.
What is the InChIKey of 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is ZCUGCDHTQHXAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-3-5-14-8-12-10(2)7-13(19-12)20(16,17)15-11-4-6-18-9-11/h7,11,14-15H,3-6,8-9H2,1-2H3.
What are the key properties of 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide?
4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106072586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).