(3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C16H24N2OS — CID 106980118

IUPAC(3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1(C(=O)N2CCCC2c2ccsc2)CCNC1
InChIInChI=1S/C16H24N2OS/c1-12(2)16(6-7-17-11-16)15(19)18-8-3-4-14(18)13-5-9-20-10-13/h5,9-10,12,14,17H,3-4,6-8,11H2,1-2H3
InChIKeyJUFYHRBKXPXHHM-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.05
Rot. Bonds3

About (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 106980118) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID106980118
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1(C(=O)N2CCCC2c2ccsc2)CCNC1
InChIInChI=1S/C16H24N2OS/c1-12(2)16(6-7-17-11-16)15(19)18-8-3-4-14(18)13-5-9-20-10-13/h5,9-10,12,14,17H,3-4,6-8,11H2,1-2H3
InChIKeyJUFYHRBKXPXHHM-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 106980118) is (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is CC(C)C1(C(=O)N2CCCC2c2ccsc2)CCNC1.
What is the InChIKey of (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is JUFYHRBKXPXHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)16(6-7-17-11-16)15(19)18-8-3-4-14(18)13-5-9-20-10-13/h5,9-10,12,14,17H,3-4,6-8,11H2,1-2H3.
What are the key properties of (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 292.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106980118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).