2-(thian-2-yl)pyrrolidine

C9H17NS — CID 81147942

IUPAC2-(thian-2-yl)pyrrolidine
SMILESC1CCC(C2CCCN2)SC1
InChIInChI=1S/C9H17NS/c1-2-7-11-9(5-1)8-4-3-6-10-8/h8-10H,1-7H2
InChIKeyAWNNFWOSCHAOQP-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.02
Rot. Bonds1

About 2-(thian-2-yl)pyrrolidine

2-(thian-2-yl)pyrrolidine (PubChem CID 81147942) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(thian-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(thian-2-yl)pyrrolidine
PubChem CID81147942
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-(thian-2-yl)pyrrolidine
SMILESC1CCC(C2CCCN2)SC1
InChIInChI=1S/C9H17NS/c1-2-7-11-9(5-1)8-4-3-6-10-8/h8-10H,1-7H2
InChIKeyAWNNFWOSCHAOQP-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thian-2-yl)pyrrolidine?
The IUPAC name of 2-(thian-2-yl)pyrrolidine (CID 81147942) is 2-(thian-2-yl)pyrrolidine.
What is the SMILES notation for 2-(thian-2-yl)pyrrolidine?
The canonical SMILES for 2-(thian-2-yl)pyrrolidine is C1CCC(C2CCCN2)SC1.
What is the InChIKey of 2-(thian-2-yl)pyrrolidine?
The InChIKey is AWNNFWOSCHAOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-7-11-9(5-1)8-4-3-6-10-8/h8-10H,1-7H2.
What are the key properties of 2-(thian-2-yl)pyrrolidine?
2-(thian-2-yl)pyrrolidine has a molecular weight of 171.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-2-yl)pyrrolidine is sourced from PubChem (CID 81147942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).