1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine

C18H17NO2S2 — CID 131703026

IUPAC1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCC(c2ccsc2)C1
InChIInChI=1S/C18H17NO2S2/c20-23(21,18-7-3-5-14-4-1-2-6-17(14)18)19-10-8-15(12-19)16-9-11-22-13-16/h1-7,9,11,13,15H,8,10,12H2
InChIKeyQQZQRPANFNIXCV-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.08
Rot. Bonds3

About 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine

1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine (PubChem CID 131703026) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine
PubChem CID131703026
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC Name1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCC(c2ccsc2)C1
InChIInChI=1S/C18H17NO2S2/c20-23(21,18-7-3-5-14-4-1-2-6-17(14)18)19-10-8-15(12-19)16-9-11-22-13-16/h1-7,9,11,13,15H,8,10,12H2
InChIKeyQQZQRPANFNIXCV-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine
CID 90522461
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
3-bromo-4-methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 102962673
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine
CID 90522429
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
3-[4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenyl]propanoic acid
CID 139619054
(3R,4R)-4-fluoro-1-naphthalen-1-ylsulfonylpyrrolidin-3-ol
CID 131909896
3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
CID 121188695

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine?
The IUPAC name of 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine (CID 131703026) is 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine.
What is the SMILES notation for 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine?
The canonical SMILES for 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine is O=S(=O)(c1cccc2ccccc12)N1CCC(c2ccsc2)C1.
What is the InChIKey of 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine?
The InChIKey is QQZQRPANFNIXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c20-23(21,18-7-3-5-14-4-1-2-6-17(14)18)19-10-8-15(12-19)16-9-11-22-13-16/h1-7,9,11,13,15H,8,10,12H2.
What are the key properties of 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine?
1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine has a molecular weight of 343.47 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine is sourced from PubChem (CID 131703026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).