1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine

C14H26N2S — CID 114080199

IUPAC1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine
SMILESCC1SCCC1N1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H26N2S/c1-11-14(6-10-17-11)16-8-4-12(5-9-16)13-3-2-7-15-13/h11-15H,2-10H2,1H3
InChIKeyMHAUDWVWUPNLSS-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.34
Rot. Bonds2

About 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine

1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 114080199) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine
PubChem CID114080199
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine
SMILESCC1SCCC1N1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H26N2S/c1-11-14(6-10-17-11)16-8-4-12(5-9-16)13-3-2-7-15-13/h11-15H,2-10H2,1H3
InChIKeyMHAUDWVWUPNLSS-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine (CID 114080199) is 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine is CC1SCCC1N1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is MHAUDWVWUPNLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11-14(6-10-17-11)16-8-4-12(5-9-16)13-3-2-7-15-13/h11-15H,2-10H2,1H3.
What are the key properties of 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine?
1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 254.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 114080199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).