1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone

C15H27N3OS — CID 141144239

IUPAC1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone
SMILESO=C(CN[C@H]1CC[C@H](CN2CCSC2)C1)N1CCCC1
InChIInChI=1S/C15H27N3OS/c19-15(18-5-1-2-6-18)10-16-14-4-3-13(9-14)11-17-7-8-20-12-17/h13-14,16H,1-12H2/t13-,14-/m0/s1
InChIKeyRDGXOMCQCUWKLK-KBPBESRZSA-N
MW297.47 g/mol
LogP1.37
Rot. Bonds5

About 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone

1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone (PubChem CID 141144239) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone
PubChem CID141144239
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone
SMILESO=C(CN[C@H]1CC[C@H](CN2CCSC2)C1)N1CCCC1
InChIInChI=1S/C15H27N3OS/c19-15(18-5-1-2-6-18)10-16-14-4-3-13(9-14)11-17-7-8-20-12-17/h13-14,16H,1-12H2/t13-,14-/m0/s1
InChIKeyRDGXOMCQCUWKLK-KBPBESRZSA-N
XLogP1.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone (CID 141144239) is 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone is O=C(CN[C@H]1CC[C@H](CN2CCSC2)C1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone?
The InChIKey is RDGXOMCQCUWKLK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H27N3OS/c19-15(18-5-1-2-6-18)10-16-14-4-3-13(9-14)11-17-7-8-20-12-17/h13-14,16H,1-12H2/t13-,14-/m0/s1.
What are the key properties of 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone?
1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone has a molecular weight of 297.47 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone is sourced from PubChem (CID 141144239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).