[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol

C14H21NO4S — CID 79028252

IUPAC[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCCCOc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1
InChIInChI=1S/C14H21NO4S/c1-2-10-19-13-5-7-14(8-6-13)20(17,18)15-9-3-4-12(15)11-16/h5-8,12,16H,2-4,9-11H2,1H3/t12-/m0/s1
InChIKeyVKZBSNQADAMHGO-LBPRGKRZSA-N
MW299.39 g/mol
LogP1.62
Rot. Bonds6

About [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol

[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 79028252) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID79028252
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCCCOc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1
InChIInChI=1S/C14H21NO4S/c1-2-10-19-13-5-7-14(8-6-13)20(17,18)15-9-3-4-12(15)11-16/h5-8,12,16H,2-4,9-11H2,1H3/t12-/m0/s1
InChIKeyVKZBSNQADAMHGO-LBPRGKRZSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 61408929
2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenoxy]acetic acid
CID 61408834
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
[(2S)-1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 107858899
N-methyl-1-[1-[4-(3-methylbutoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991195
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 79028252) is [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol is CCCOc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1.
What is the InChIKey of [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is VKZBSNQADAMHGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-2-10-19-13-5-7-14(8-6-13)20(17,18)15-9-3-4-12(15)11-16/h5-8,12,16H,2-4,9-11H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 299.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 79028252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).