1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine

C10H18N2S — CID 130235695

IUPAC1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine
SMILESC1CCN(C2(C3CCS3)CNC2)C1
InChIInChI=1S/C10H18N2S/c1-2-5-12(4-1)10(7-11-8-10)9-3-6-13-9/h9,11H,1-8H2
InChIKeyPGSNLFALDSRJDW-UHFFFAOYSA-N
MW198.33 g/mol
LogP0.93
Rot. Bonds2

About 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine

1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine (PubChem CID 130235695) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine
PubChem CID130235695
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine
SMILESC1CCN(C2(C3CCS3)CNC2)C1
InChIInChI=1S/C10H18N2S/c1-2-5-12(4-1)10(7-11-8-10)9-3-6-13-9/h9,11H,1-8H2
InChIKeyPGSNLFALDSRJDW-UHFFFAOYSA-N
XLogP0.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine?
The IUPAC name of 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine (CID 130235695) is 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine.
What is the SMILES notation for 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine?
The canonical SMILES for 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine is C1CCN(C2(C3CCS3)CNC2)C1.
What is the InChIKey of 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine?
The InChIKey is PGSNLFALDSRJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-5-12(4-1)10(7-11-8-10)9-3-6-13-9/h9,11H,1-8H2.
What are the key properties of 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine?
1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine has a molecular weight of 198.33 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thietan-2-yl)azetidin-3-yl]pyrrolidine is sourced from PubChem (CID 130235695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).