4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide

C15H24N2O2S2 — CID 106086339

IUPAC4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NC2CCSC2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-2-9-16-10-7-13-3-5-15(6-4-13)21(18,19)17-14-8-11-20-12-14/h3-6,14,16-17H,2,7-12H2,1H3
InChIKeyCDLUQJCTPIJJLH-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.01
Rot. Bonds8

About 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide

4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 106086339) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID106086339
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NC2CCSC2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-2-9-16-10-7-13-3-5-15(6-4-13)21(18,19)17-14-8-11-20-12-14/h3-6,14,16-17H,2,7-12H2,1H3
InChIKeyCDLUQJCTPIJJLH-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.01
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

4-[2-(methylamino)ethyl]-N-(thian-4-yl)benzenesulfonamide
CID 106084491
2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331
4-hydroxy-N-(thiolan-3-yl)benzenesulfonamide
CID 103063928
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
2-methyl-5-(propylaminomethyl)-N-(thiolan-3-yl)furan-3-sulfonamide
CID 106086445
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
CID 106086377
5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide
CID 106084462
N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106063705

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide (CID 106086339) is 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide is CCCNCCc1ccc(S(=O)(=O)NC2CCSC2)cc1.
What is the InChIKey of 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is CDLUQJCTPIJJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-2-9-16-10-7-13-3-5-15(6-4-13)21(18,19)17-14-8-11-20-12-14/h3-6,14,16-17H,2,7-12H2,1H3.
What are the key properties of 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide?
4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106086339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).