[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide

C16H22N2O3S — CID 124847487

IUPAC[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1
InChIInChI=1S/C16H22N2O3S/c17-22(20,21)11-12-5-6-18(10-12)16(19)9-13-7-14-3-1-2-4-15(14)8-13/h1-4,12-13H,5-11H2,(H2,17,20,21)/t12-/m1/s1
InChIKeyKXHHLZQKMFKIFI-GFCCVEGCSA-N
MW322.43 g/mol
LogP0.93
Rot. Bonds4

About [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide

[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 124847487) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID124847487
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1
InChIInChI=1S/C16H22N2O3S/c17-22(20,21)11-12-5-6-18(10-12)16(19)9-13-7-14-3-1-2-4-15(14)8-13/h1-4,12-13H,5-11H2,(H2,17,20,21)/t12-/m1/s1
InChIKeyKXHHLZQKMFKIFI-GFCCVEGCSA-N
XLogP0.93
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119071782
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 119541380
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 122556978
[(3R)-1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidin-3-yl]methanesulfonamide
CID 125161073
1-(4-aminopiperidin-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;hydrochloride
CID 119375839
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
[(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125167123
[(3S)-1-[4-(4-fluorophenyl)-4-oxobutanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 125163683
[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 126451013
[1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 118768662
[1-[3-[4-(dimethylamino)phenyl]propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 118795576
[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125179745

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide (CID 124847487) is [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)C[C@@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1.
What is the InChIKey of [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is KXHHLZQKMFKIFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O3S/c17-22(20,21)11-12-5-6-18(10-12)16(19)9-13-7-14-3-1-2-4-15(14)8-13/h1-4,12-13H,5-11H2,(H2,17,20,21)/t12-/m1/s1.
What are the key properties of [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 124847487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).