1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one

C14H25NO4S — CID 79544455

IUPAC1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC1C1CCCC1O)S(C)(=O)=O
InChIInChI=1S/C14H25NO4S/c1-14(2,20(3,18)19)13(17)15-9-5-7-11(15)10-6-4-8-12(10)16/h10-12,16H,4-9H2,1-3H3
InChIKeyPVBUVTUTADLEMJ-UHFFFAOYSA-N
MW303.42 g/mol
LogP0.96
Rot. Bonds3

About 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one

1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one (PubChem CID 79544455) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
PubChem CID79544455
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC1C1CCCC1O)S(C)(=O)=O
InChIInChI=1S/C14H25NO4S/c1-14(2,20(3,18)19)13(17)15-9-5-7-11(15)10-6-4-8-12(10)16/h10-12,16H,4-9H2,1-3H3
InChIKeyPVBUVTUTADLEMJ-UHFFFAOYSA-N
XLogP0.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 129449015
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 78955972
N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 129491191
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107180503
N-tert-butyl-2-(2-hydroxycyclohexyl)piperidine-1-carboxamide
CID 79552874
2-cyclopropyl-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
CID 83148685
4-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2,2-dimethyl-4-oxobutanenitrile
CID 129491820
cyclohexyl-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79545603
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 79544158
N,N-diethyl-2-(2-hydroxycyclopentyl)piperidine-1-carboxamide
CID 79545752
3,3,3-trifluoro-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546605

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one (CID 79544455) is 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one is CC(C)(C(=O)N1CCCC1C1CCCC1O)S(C)(=O)=O.
What is the InChIKey of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one?
The InChIKey is PVBUVTUTADLEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-14(2,20(3,18)19)13(17)15-9-5-7-11(15)10-6-4-8-12(10)16/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one?
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one has a molecular weight of 303.42 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 79544455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).