2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile

C8H14N2O3S — CID 103356116

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C8H14N2O3S/c1-7(5-9)14(12,13)10-4-3-8(2,11)6-10/h7,11H,3-4,6H2,1-2H3
InChIKeyWVUMXQBFWRURBO-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.32
Rot. Bonds2

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile

2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile (PubChem CID 103356116) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile
PubChem CID103356116
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C8H14N2O3S/c1-7(5-9)14(12,13)10-4-3-8(2,11)6-10/h7,11H,3-4,6H2,1-2H3
InChIKeyWVUMXQBFWRURBO-UHFFFAOYSA-N
XLogP-0.32
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]-N,N-dimethyl-1-propanesulfonamide
CID 72883154
(3S)-1-cyclobutylsulfonyl-3-methylpyrrolidin-3-ol
CID 164634547
2-(3-Hydroxypyrrolidin-1-yl)sulfonylbutanenitrile
CID 65571574
2-(3-Hydroxypyrrolidin-1-yl)sulfonylpropanenitrile
CID 65571575
2-(3-Ethyl-3-hydroxyazetidin-1-yl)sulfonylpropanenitrile
CID 65929810
2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpropanenitrile
CID 66291503
2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylbutanenitrile
CID 66291647
2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpropanenitrile
CID 79031181
2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbutanenitrile
CID 79031551
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylbutan-2-ol
CID 79361203
1-(1-Aminobutan-2-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355757
1-(1-Aminopropan-2-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355765

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile (CID 103356116) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile is CC(C#N)S(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile?
The InChIKey is WVUMXQBFWRURBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-7(5-9)14(12,13)10-4-3-8(2,11)6-10/h7,11H,3-4,6H2,1-2H3.
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile has a molecular weight of 218.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanenitrile is sourced from PubChem (CID 103356116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).