1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol

C14H21NO3S — CID 168788077

IUPAC1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol
SMILESCC(C)(C)S(=O)(=O)N1CC(O)CC1c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-14(2,3)19(17,18)15-10-12(16)9-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3
InChIKeyFIVMNEIIOVDYAH-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.92
Rot. Bonds2

About 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol

1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol (PubChem CID 168788077) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol
PubChem CID168788077
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol
SMILESCC(C)(C)S(=O)(=O)N1CC(O)CC1c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-14(2,3)19(17,18)15-10-12(16)9-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3
InChIKeyFIVMNEIIOVDYAH-UHFFFAOYSA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diphenyl-1,4-bis(trifluoromethylsulfonyl)piperazine
CID 53305234
1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 128963640
(2S)-2-benzyl-1-tert-butylsulfonylaziridine
CID 102284684
(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481403
1-(2,5-dimethylfuran-3-yl)sulfonyl-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 128963851
1-tert-butylsulfonyl-4-phenylpiperidine
CID 20680839
ethyl (2S,3S,4S)-1-tert-butylsulfonyl-3-phenyl-4-propylpyrrolidine-2-carboxylate
CID 51032631
(3R,5R)-1-(2-methoxyethylsulfonyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 99703425
(2R,4S)-1-methyl-2-phenylpiperidin-4-ol
CID 71409526
5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
CID 128964231
(3S,5R)-1-(cyclopropylmethylsulfonyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481215
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol?
The IUPAC name of 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol (CID 168788077) is 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol is CC(C)(C)S(=O)(=O)N1CC(O)CC1c1ccccc1.
What is the InChIKey of 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol?
The InChIKey is FIVMNEIIOVDYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-14(2,3)19(17,18)15-10-12(16)9-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3.
What are the key properties of 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol?
1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol has a molecular weight of 283.39 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-5-phenylpyrrolidin-3-ol is sourced from PubChem (CID 168788077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).