2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine

C13H24N2S — CID 62274739

IUPAC2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
SMILESC1CNC(C2CCCN2C2CCSCC2)C1
InChIInChI=1S/C13H24N2S/c1-3-12(14-7-1)13-4-2-8-15(13)11-5-9-16-10-6-11/h11-14H,1-10H2
InChIKeySUJTZHJTVGPICV-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.10
Rot. Bonds2

About 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine

2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine (PubChem CID 62274739) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
PubChem CID62274739
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
SMILESC1CNC(C2CCCN2C2CCSCC2)C1
InChIInChI=1S/C13H24N2S/c1-3-12(14-7-1)13-4-2-8-15(13)11-5-9-16-10-6-11/h11-14H,1-10H2
InChIKeySUJTZHJTVGPICV-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine
CID 63256447
1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62275570
4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571366
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
CID 62273006
2-pyrrolidin-2-yl-1-spiro[4.5]decan-8-ylpiperidine
CID 114818840
(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676086
2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)cyclohexan-1-ol
CID 62273749
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane
CID 65078027
1-(5,5-dimethylthian-3-yl)-2-pyrrolidin-2-ylpiperidine
CID 79946618
1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 107449492
1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
CID 65085970

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine?
The IUPAC name of 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine (CID 62274739) is 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine?
The canonical SMILES for 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine is C1CNC(C2CCCN2C2CCSCC2)C1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine?
The InChIKey is SUJTZHJTVGPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-12(14-7-1)13-4-2-8-15(13)11-5-9-16-10-6-11/h11-14H,1-10H2.
What are the key properties of 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine?
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine has a molecular weight of 240.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine is sourced from PubChem (CID 62274739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).