3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine

C18H23NO2S — CID 70948532

IUPAC3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine
SMILESCCCCC1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23NO2S/c1-2-3-6-15-11-12-19(14-15)22(20,21)18-10-9-16-7-4-5-8-17(16)13-18/h4-5,7-10,13,15H,2-3,6,11-12,14H2,1H3
InChIKeyWYACSUAVLBEBRF-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.04
Rot. Bonds5

About 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine

3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine (PubChem CID 70948532) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine
PubChem CID70948532
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine
SMILESCCCCC1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23NO2S/c1-2-3-6-15-11-12-19(14-15)22(20,21)18-10-9-16-7-4-5-8-17(16)13-18/h4-5,7-10,13,15H,2-3,6,11-12,14H2,1H3
InChIKeyWYACSUAVLBEBRF-UHFFFAOYSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
N-hydroxy-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 11848948
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989319
2-[methyl-[(3R)-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl]amino]ethanol
CID 143369570
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine?
The IUPAC name of 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine (CID 70948532) is 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine?
The canonical SMILES for 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine is CCCCC1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine?
The InChIKey is WYACSUAVLBEBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-2-3-6-15-11-12-19(14-15)22(20,21)18-10-9-16-7-4-5-8-17(16)13-18/h4-5,7-10,13,15H,2-3,6,11-12,14H2,1H3.
What are the key properties of 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine?
3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine has a molecular weight of 317.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 70948532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).