1-(4-propoxyphenyl)sulfonylpyrrolidine

C13H19NO3S — CID 60755176

IUPAC1-(4-propoxyphenyl)sulfonylpyrrolidine
SMILESCCCOc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-11-17-12-5-7-13(8-6-12)18(15,16)14-9-3-4-10-14/h5-8H,2-4,9-11H2,1H3
InChIKeyQHSKAJTYFSOQCJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.26
Rot. Bonds5

About 1-(4-propoxyphenyl)sulfonylpyrrolidine

1-(4-propoxyphenyl)sulfonylpyrrolidine (PubChem CID 60755176) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-propoxyphenyl)sulfonylpyrrolidine
PubChem CID60755176
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(4-propoxyphenyl)sulfonylpyrrolidine
SMILESCCCOc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-11-17-12-5-7-13(8-6-12)18(15,16)14-9-3-4-10-14/h5-8H,2-4,9-11H2,1H3
InChIKeyQHSKAJTYFSOQCJ-UHFFFAOYSA-N
XLogP2.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
N-propan-2-yl-4-(4-propoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811255
1-[3-nitro-4-(4-propoxyphenoxy)phenyl]sulfonylpyrrolidine
CID 9111025
(3S,5S)-3,5-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidine
CID 2294126
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
1-(4-pentoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963409
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 8924542
propyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 154024928

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-propoxyphenyl)sulfonylpyrrolidine (CID 60755176) is 1-(4-propoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-propoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-propoxyphenyl)sulfonylpyrrolidine is CCCOc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)sulfonylpyrrolidine?
The InChIKey is QHSKAJTYFSOQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-11-17-12-5-7-13(8-6-12)18(15,16)14-9-3-4-10-14/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-propoxyphenyl)sulfonylpyrrolidine?
1-(4-propoxyphenyl)sulfonylpyrrolidine has a molecular weight of 269.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 60755176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).