1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone

C15H26N2OS — CID 107029391

IUPAC1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
SMILESO=C(CC1(CS)CC1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H26N2OS/c18-14(10-15(12-19)5-6-15)17-9-4-13(11-17)16-7-2-1-3-8-16/h13,19H,1-12H2
InChIKeyWCNQMCLDGDPWIG-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.17
Rot. Bonds4

About 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone

1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone (PubChem CID 107029391) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
PubChem CID107029391
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
SMILESO=C(CC1(CS)CC1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H26N2OS/c18-14(10-15(12-19)5-6-15)17-9-4-13(11-17)16-7-2-1-3-8-16/h13,19H,1-12H2
InChIKeyWCNQMCLDGDPWIG-UHFFFAOYSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
The IUPAC name of 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone (CID 107029391) is 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
The canonical SMILES for 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone is O=C(CC1(CS)CC1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
The InChIKey is WCNQMCLDGDPWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c18-14(10-15(12-19)5-6-15)17-9-4-13(11-17)16-7-2-1-3-8-16/h13,19H,1-12H2.
What are the key properties of 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone?
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone has a molecular weight of 282.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone is sourced from PubChem (CID 107029391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).