2-(thietan-3-ylmethyl)pyrrolidine

C8H15NS — CID 83905279

IUPAC2-(thietan-3-ylmethyl)pyrrolidine
SMILESC1CNC(CC2CSC2)C1
InChIInChI=1S/C8H15NS/c1-2-8(9-3-1)4-7-5-10-6-7/h7-9H,1-6H2
InChIKeyLWDBEZSPLMZUNR-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds2

About 2-(thietan-3-ylmethyl)pyrrolidine

2-(thietan-3-ylmethyl)pyrrolidine (PubChem CID 83905279) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-(thietan-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(thietan-3-ylmethyl)pyrrolidine
PubChem CID83905279
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-(thietan-3-ylmethyl)pyrrolidine
SMILESC1CNC(CC2CSC2)C1
InChIInChI=1S/C8H15NS/c1-2-8(9-3-1)4-7-5-10-6-7/h7-9H,1-6H2
InChIKeyLWDBEZSPLMZUNR-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(thiolan-3-ylmethyl)pyrrolidine
CID 82653355
2-(cyclobutylmethyl)pyrrolidine
CID 77248341
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
(2S)-2-(cyclohexylmethyl)piperidine
CID 51377530
2-(cycloheptylmethyl)piperidine
CID 79006754
8-methyl-3-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 83909259
4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one
CID 163507233
2-[(3,5-dimethylcyclohexyl)methyl]piperidine
CID 64731136
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
pyrrolidin-2-ylmethanethiol
CID 15793333
CID 18724132
CID 18724132
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372

Frequently Asked Questions

What is the IUPAC name of 2-(thietan-3-ylmethyl)pyrrolidine?
The IUPAC name of 2-(thietan-3-ylmethyl)pyrrolidine (CID 83905279) is 2-(thietan-3-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-(thietan-3-ylmethyl)pyrrolidine?
The canonical SMILES for 2-(thietan-3-ylmethyl)pyrrolidine is C1CNC(CC2CSC2)C1.
What is the InChIKey of 2-(thietan-3-ylmethyl)pyrrolidine?
The InChIKey is LWDBEZSPLMZUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-8(9-3-1)4-7-5-10-6-7/h7-9H,1-6H2.
What are the key properties of 2-(thietan-3-ylmethyl)pyrrolidine?
2-(thietan-3-ylmethyl)pyrrolidine has a molecular weight of 157.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thietan-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 83905279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).