1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one

C12H22N2O3S — CID 119412753

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
SMILESN[C@@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C12H22N2O3S/c13-10-5-7-14(9-10)12(15)6-8-18(16,17)11-3-1-2-4-11/h10-11H,1-9,13H2/t10-/m1/s1
InChIKeyRUWIKNNKJIJVFE-SNVBAGLBSA-N
MW274.39 g/mol
LogP0.29
Rot. Bonds4

About 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one (PubChem CID 119412753) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
PubChem CID119412753
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
SMILESN[C@@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C12H22N2O3S/c13-10-5-7-14(9-10)12(15)6-8-18(16,17)11-3-1-2-4-11/h10-11H,1-9,13H2/t10-/m1/s1
InChIKeyRUWIKNNKJIJVFE-SNVBAGLBSA-N
XLogP0.29
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997
1-(3-aminopyrrolidin-1-yl)-3-methylsulfonylpropan-1-one
CID 62068727
3-cyclopentylsulfonyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119398208
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119520216
3-cyclopentylsulfonyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580044
3-cyclopentylsulfonyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546220
N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119481830
3-cyclopentylsulfonyl-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 71941305
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
3-cyclopentylsulfonyl-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
CID 56803132
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one (CID 119412753) is 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one is N[C@@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one?
The InChIKey is RUWIKNNKJIJVFE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3S/c13-10-5-7-14(9-10)12(15)6-8-18(16,17)11-3-1-2-4-11/h10-11H,1-9,13H2/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one has a molecular weight of 274.39 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-3-cyclopentylsulfonylpropan-1-one is sourced from PubChem (CID 119412753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).