3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine

C14H26N2S — CID 54981890

IUPAC3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine
SMILESC1CNC(C2CCCN(C3CCSCC3)C2)C1
InChIInChI=1S/C14H26N2S/c1-4-14(15-7-1)12-3-2-8-16(11-12)13-5-9-17-10-6-13/h12-15H,1-11H2
InChIKeyXGDMIJKGSDNRRY-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.35
Rot. Bonds2

About 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine

3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine (PubChem CID 54981890) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine
PubChem CID54981890
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine
SMILESC1CNC(C2CCCN(C3CCSCC3)C2)C1
InChIInChI=1S/C14H26N2S/c1-4-14(15-7-1)12-3-2-8-16(11-12)13-5-9-17-10-6-13/h12-15H,1-11H2
InChIKeyXGDMIJKGSDNRRY-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine?
The IUPAC name of 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine (CID 54981890) is 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine.
What is the SMILES notation for 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine?
The canonical SMILES for 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine is C1CNC(C2CCCN(C3CCSCC3)C2)C1.
What is the InChIKey of 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine?
The InChIKey is XGDMIJKGSDNRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-14(15-7-1)12-3-2-8-16(11-12)13-5-9-17-10-6-13/h12-15H,1-11H2.
What are the key properties of 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine?
3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine has a molecular weight of 254.44 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-1-(thian-4-yl)piperidine is sourced from PubChem (CID 54981890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).