N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide

C16H20N2O2S2 — CID 176725551

IUPACN-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC(Cc1ccccc1)c1cccs1)N1CCCC1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,18-10-4-5-11-18)17-15(16-9-6-12-21-16)13-14-7-2-1-3-8-14/h1-3,6-9,12,15,17H,4-5,10-11,13H2
InChIKeyWOSJMXYAUHSURP-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.96
Rot. Bonds6

About N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide

N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide (PubChem CID 176725551) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
PubChem CID176725551
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC(Cc1ccccc1)c1cccs1)N1CCCC1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,18-10-4-5-11-18)17-15(16-9-6-12-21-16)13-14-7-2-1-3-8-14/h1-3,6-9,12,15,17H,4-5,10-11,13H2
InChIKeyWOSJMXYAUHSURP-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
N-(2-phenyl-1-thiophen-2-ylethyl)ethanesulfonamide
CID 56791791
N-(1-thiophen-2-ylpropyl)morpholine-4-sulfonamide
CID 47306222
N-(2-amino-1-phenylethyl)pyrrolidine-1-sulfonamide
CID 61124934
N-(2-bromo-1-phenylethyl)azepane-1-sulfonamide
CID 114296872
N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide
CID 11109622
N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
CID 63183108
4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 131905448
5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide
CID 166209049
3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 106053452
N-ethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
CID 3061989
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 55931237

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide (CID 176725551) is N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NC(Cc1ccccc1)c1cccs1)N1CCCC1.
What is the InChIKey of N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide?
The InChIKey is WOSJMXYAUHSURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c19-22(20,18-10-4-5-11-18)17-15(16-9-6-12-21-16)13-14-7-2-1-3-8-14/h1-3,6-9,12,15,17H,4-5,10-11,13H2.
What are the key properties of N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide?
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 176725551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).