(3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol

C11H21NO3S — CID 72924220

IUPAC(3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(S(=O)(=O)C2CC2)C[C@H]1C
InChIInChI=1S/C11H21NO3S/c1-8(2)11(13)7-12(6-9(11)3)16(14,15)10-4-5-10/h8-10,13H,4-7H2,1-3H3/t9-,11-/m1/s1
InChIKeyMNLOBGOPMVEYLH-MWLCHTKSSA-N
MW247.36 g/mol
LogP0.82
Rot. Bonds3

About (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol

(3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol (PubChem CID 72924220) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol
PubChem CID72924220
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name(3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(S(=O)(=O)C2CC2)C[C@H]1C
InChIInChI=1S/C11H21NO3S/c1-8(2)11(13)7-12(6-9(11)3)16(14,15)10-4-5-10/h8-10,13H,4-7H2,1-3H3/t9-,11-/m1/s1
InChIKeyMNLOBGOPMVEYLH-MWLCHTKSSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R*,4R*)-3-isopropyl-1-(isopropylsulfonyl)-4-methyl-3-pyrrolidinol
CID 72882368
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-(1-Tert-butylcyclopropyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 160885035
1-Methylsulfonyl-3-propan-2-ylpyrrolidin-3-ol
CID 162475439
1-Butylsulfonyl-3-methylpyrrolidin-3-ol
CID 103871360
3-Methyl-1-propylsulfonylpyrrolidin-3-ol
CID 103871369
1-Cyclopropylsulfonyl-3-methylpyrrolidin-3-ol
CID 103871430
3-Methyl-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 103871497
3-Methyl-1-propan-2-ylsulfonylpyrrolidin-3-ol
CID 103871536
3-Methyl-1-(3-methylbutylsulfonyl)pyrrolidin-3-ol
CID 103871538

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol (CID 72924220) is (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol is CC(C)[C@]1(O)CN(S(=O)(=O)C2CC2)C[C@H]1C.
What is the InChIKey of (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The InChIKey is MNLOBGOPMVEYLH-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-8(2)11(13)7-12(6-9(11)3)16(14,15)10-4-5-10/h8-10,13H,4-7H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
(3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol has a molecular weight of 247.36 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-cyclopropylsulfonyl-4-methyl-3-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 72924220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).