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

C14H26N2S — CID 63256447

IUPAC2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine
SMILESC1CNC(C2CCCCN2C2CCCSC2)C1
InChIInChI=1S/C14H26N2S/c1-2-9-16(12-5-4-10-17-11-12)14(7-1)13-6-3-8-15-13/h12-15H,1-11H2
InChIKeySZBQJVRSWKZLQY-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.49
Rot. Bonds2

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

2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine (PubChem CID 63256447) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine
PubChem CID63256447
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine
SMILESC1CNC(C2CCCCN2C2CCCSC2)C1
InChIInChI=1S/C14H26N2S/c1-2-9-16(12-5-4-10-17-11-12)14(7-1)13-6-3-8-15-13/h12-15H,1-11H2
InChIKeySZBQJVRSWKZLQY-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
CID 62274739
1-(5,5-dimethylthian-3-yl)-2-pyrrolidin-2-ylpiperidine
CID 79946618
1-(4,4-dimethylthian-3-yl)-2-pyrrolidin-2-ylpiperidine
CID 79949011
(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676086
2-pyrrolidin-2-yl-1-spiro[4.5]decan-8-ylpiperidine
CID 114818840
1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
CID 65085970
2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)cyclohexan-1-ol
CID 62273749
1-(2-ethylcyclohexyl)-2-pyrrolidin-2-ylpiperidine
CID 63863432
4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571366
1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 107449492
1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62275570

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine?
The IUPAC name of 2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine (CID 63256447) is 2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine?
The canonical SMILES for 2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine is C1CNC(C2CCCCN2C2CCCSC2)C1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine?
The InChIKey is SZBQJVRSWKZLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-2-9-16(12-5-4-10-17-11-12)14(7-1)13-6-3-8-15-13/h12-15H,1-11H2.
What are the key properties of 2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine?
2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine has a molecular weight of 254.44 g/mol, XLogP of 2.49, 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-3-yl)piperidine is sourced from PubChem (CID 63256447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).