(3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol

C11H23NO3S — CID 102393426

IUPAC(3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@@H]1C[C@@H](O)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO3S/c1-8(2)10-6-9(13)7-12(10)16(14,15)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyWRLXPNGEAFTIMH-ZJUUUORDSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds2

About (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol

(3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol (PubChem CID 102393426) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol
PubChem CID102393426
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@@H]1C[C@@H](O)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO3S/c1-8(2)10-6-9(13)7-12(10)16(14,15)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyWRLXPNGEAFTIMH-ZJUUUORDSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol 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

5-(Tert-butylsulfonyl)-2-fluoro-5-azaspiro[3.4]octan-7-OL
CID 164871702
[(2S)-1-tert-butylsulfonylpyrrolidin-2-yl]methanol
CID 59831595
1-Tert-butylsulfonyl-5-methylpyrrolidin-3-ol
CID 68353252
1-Tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol
CID 115275347
(3S)-1-methylsulfanyl-5-propan-2-ylpyrrolidin-3-ol
CID 130250900
1-Ethylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 145766796
5-Tert-butylsulfonyl-5-azaspiro[3.4]octan-7-ol
CID 164871551
1-Tert-butylsulfonyl-1-azaspiro[4.4]nonan-3-ol
CID 164871844
N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide
CID 174044309
1-Methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 177109205
(1-Tert-butylsulfonylpyrrolidin-2-yl)methanol
CID 63688808
[1-(3-Methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol (CID 102393426) is (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol is CC(C)[C@@H]1C[C@@H](O)CN1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol?
The InChIKey is WRLXPNGEAFTIMH-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-8(2)10-6-9(13)7-12(10)16(14,15)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol?
(3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol has a molecular weight of 249.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-tert-butylsulfonyl-5-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 102393426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).