2-(thiolan-3-ylmethyl)pyrrolidine

C9H17NS — CID 82653355

IUPAC2-(thiolan-3-ylmethyl)pyrrolidine
SMILESC1CNC(CC2CCSC2)C1
InChIInChI=1S/C9H17NS/c1-2-9(10-4-1)6-8-3-5-11-7-8/h8-10H,1-7H2
InChIKeyNSCBDDCDUNCEKJ-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.88
Rot. Bonds2

About 2-(thiolan-3-ylmethyl)pyrrolidine

2-(thiolan-3-ylmethyl)pyrrolidine (PubChem CID 82653355) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(thiolan-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(thiolan-3-ylmethyl)pyrrolidine
PubChem CID82653355
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-(thiolan-3-ylmethyl)pyrrolidine
SMILESC1CNC(CC2CCSC2)C1
InChIInChI=1S/C9H17NS/c1-2-9(10-4-1)6-8-3-5-11-7-8/h8-10H,1-7H2
InChIKeyNSCBDDCDUNCEKJ-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(thietan-3-ylmethyl)pyrrolidine
CID 83905279
2-(cyclobutylmethyl)pyrrolidine
CID 77248341
2-(thiolan-3-ylmethyl)-1,3-oxazinane
CID 117225889
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
(2S)-2-(cyclohexylmethyl)piperidine
CID 51377530
2-(cycloheptylmethyl)piperidine
CID 79006754
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
1-(pyrrolidin-2-ylmethyl)-3-(thian-4-ylmethyl)urea
CID 117234673
N-methyl-N-(piperidin-2-ylmethyl)thiolan-3-amine
CID 43296815
N-(piperidin-2-ylmethyl)thiolan-3-amine
CID 106634528
8-methyl-3-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 83909259
2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine
CID 107133151

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylmethyl)pyrrolidine?
The IUPAC name of 2-(thiolan-3-ylmethyl)pyrrolidine (CID 82653355) is 2-(thiolan-3-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-(thiolan-3-ylmethyl)pyrrolidine?
The canonical SMILES for 2-(thiolan-3-ylmethyl)pyrrolidine is C1CNC(CC2CCSC2)C1.
What is the InChIKey of 2-(thiolan-3-ylmethyl)pyrrolidine?
The InChIKey is NSCBDDCDUNCEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-9(10-4-1)6-8-3-5-11-7-8/h8-10H,1-7H2.
What are the key properties of 2-(thiolan-3-ylmethyl)pyrrolidine?
2-(thiolan-3-ylmethyl)pyrrolidine has a molecular weight of 171.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 82653355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).