[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol

C14H21NO4S — CID 62371705

IUPAC[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(CO)C2)cc1
InChIInChI=1S/C14H21NO4S/c1-2-9-19-13-3-5-14(6-4-13)20(17,18)15-8-7-12(10-15)11-16/h3-6,12,16H,2,7-11H2,1H3
InChIKeyBYGFBXFCUNTNCA-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.48
Rot. Bonds6

About [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol

[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol (PubChem CID 62371705) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
PubChem CID62371705
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(CO)C2)cc1
InChIInChI=1S/C14H21NO4S/c1-2-9-19-13-3-5-14(6-4-13)20(17,18)15-8-7-12(10-15)11-16/h3-6,12,16H,2,7-11H2,1H3
InChIKeyBYGFBXFCUNTNCA-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028252
(3S,5S)-3,5-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidine
CID 2294126
[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972213
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
CID 120779463

Frequently Asked Questions

What is the IUPAC name of [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol (CID 62371705) is [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol is CCCOc1ccc(S(=O)(=O)N2CCC(CO)C2)cc1.
What is the InChIKey of [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is BYGFBXFCUNTNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-2-9-19-13-3-5-14(6-4-13)20(17,18)15-8-7-12(10-15)11-16/h3-6,12,16H,2,7-11H2,1H3.
What are the key properties of [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol?
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol has a molecular weight of 299.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 62371705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).