3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

C17H30N2O3S — CID 95291855

IUPAC3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C17H30N2O3S/c1-18-11-4-8-15(18)16-9-5-12-19(16)17(20)10-13-23(21,22)14-6-2-3-7-14/h14-16H,2-13H2,1H3/t15-,16-/m0/s1
InChIKeyDGNVUZGOSIRETC-HOTGVXAUSA-N
MW342.51 g/mol
LogP1.82
Rot. Bonds5

About 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95291855) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID95291855
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Name3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C17H30N2O3S/c1-18-11-4-8-15(18)16-9-5-12-19(16)17(20)10-13-23(21,22)14-6-2-3-7-14/h14-16H,2-13H2,1H3/t15-,16-/m0/s1
InChIKeyDGNVUZGOSIRETC-HOTGVXAUSA-N
XLogP1.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 98758074
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 95606254
2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427736
2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95306760
2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430392
3-cyclopentylsulfonyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472973
3-cyclopentylsulfonyl-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]propan-1-one
CID 71889361
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95300977
cyclopentyl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95311578
4-(2-methylimidazol-1-yl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95303189
1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 129427741
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95291855) is 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is CN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is DGNVUZGOSIRETC-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-18-11-4-8-15(18)16-9-5-12-19(16)17(20)10-13-23(21,22)14-6-2-3-7-14/h14-16H,2-13H2,1H3/t15-,16-/m0/s1.
What are the key properties of 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 342.51 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95291855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).