(3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol

C11H23NO3S — CID 72882368

IUPAC(3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(S(=O)(=O)C(C)C)C[C@H]1C
InChIInChI=1S/C11H23NO3S/c1-8(2)11(13)7-12(6-10(11)5)16(14,15)9(3)4/h8-10,13H,6-7H2,1-5H3/t10-,11-/m1/s1
InChIKeyFKSKNZZOMSUPHO-GHMZBOCLSA-N
MW249.38 g/mol
LogP1.06
Rot. Bonds3

About (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol

(3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol (PubChem CID 72882368) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol
PubChem CID72882368
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(S(=O)(=O)C(C)C)C[C@H]1C
InChIInChI=1S/C11H23NO3S/c1-8(2)11(13)7-12(6-10(11)5)16(14,15)9(3)4/h8-10,13H,6-7H2,1-5H3/t10-,11-/m1/s1
InChIKeyFKSKNZZOMSUPHO-GHMZBOCLSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-N,N-dimethyl-1-propanesulfonamide
CID 72848637
(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol
CID 164634547
1-(Cyclohexylmethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871356
1-Ethylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 145766796
3-Tert-butyl-1-methylsulfonylpyrrolidin-3-ol
CID 156353104
1-Methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol
CID 162475439
1-Methylsulfonyl-4-propan-2-ylpyrrolidin-3-ol
CID 177109205
1-Methyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
CID 65146620
1-Methyl-3-(2-methylsulfonylethyl)pyrrolidin-3-ol
CID 65146727
(3R*,4R*)-1-(cyclopropylsulfonyl)-3-isopropyl-4-methyl-3-pyrrolidinol
CID 72924220
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
1-Tert-butylsulfonyl-3-methylpyrrolidin-3-ol
CID 103357551

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol (CID 72882368) is (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol is CC(C)[C@]1(O)CN(S(=O)(=O)C(C)C)C[C@H]1C.
What is the InChIKey of (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol?
The InChIKey is FKSKNZZOMSUPHO-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-8(2)11(13)7-12(6-10(11)5)16(14,15)9(3)4/h8-10,13H,6-7H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol?
(3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol has a molecular weight of 249.38 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3-propan-2-yl-1-propan-2-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 72882368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).