2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

C16H26N2O3S — CID 95622453

IUPAC2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C([C@H]1CCCN1C(=O)COC1CCCC1)N1CCSCC1
InChIInChI=1S/C16H26N2O3S/c19-15(12-21-13-4-1-2-5-13)18-7-3-6-14(18)16(20)17-8-10-22-11-9-17/h13-14H,1-12H2/t14-/m1/s1
InChIKeyTVYNNLPCVYGXPM-CQSZACIVSA-N
MW326.46 g/mol
LogP1.51
Rot. Bonds4

About 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 95622453) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID95622453
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C([C@H]1CCCN1C(=O)COC1CCCC1)N1CCSCC1
InChIInChI=1S/C16H26N2O3S/c19-15(12-21-13-4-1-2-5-13)18-7-3-6-14(18)16(20)17-8-10-22-11-9-17/h13-14H,1-12H2/t14-/m1/s1
InChIKeyTVYNNLPCVYGXPM-CQSZACIVSA-N
XLogP1.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-1-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 97005212
2-amino-3-methoxy-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 120990207
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87000800
2-cyclohexyloxy-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427736
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 120990209
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
CID 10928641
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (CID 95622453) is 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is O=C([C@H]1CCCN1C(=O)COC1CCCC1)N1CCSCC1.
What is the InChIKey of 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is TVYNNLPCVYGXPM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3S/c19-15(12-21-13-4-1-2-5-13)18-7-3-6-14(18)16(20)17-8-10-22-11-9-17/h13-14H,1-12H2/t14-/m1/s1.
What are the key properties of 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 326.46 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[(2R)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95622453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).