2-propyl-2-(thian-3-yl)pyrrolidine

C12H23NS — CID 56989623

IUPAC2-propyl-2-(thian-3-yl)pyrrolidine
SMILESCCCC1(C2CCCSC2)CCCN1
InChIInChI=1S/C12H23NS/c1-2-6-12(7-4-8-13-12)11-5-3-9-14-10-11/h11,13H,2-10H2,1H3
InChIKeyARRYAALXBVMNFZ-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.05
Rot. Bonds3

About 2-propyl-2-(thian-3-yl)pyrrolidine

2-propyl-2-(thian-3-yl)pyrrolidine (PubChem CID 56989623) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-propyl-2-(thian-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-propyl-2-(thian-3-yl)pyrrolidine
PubChem CID56989623
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-propyl-2-(thian-3-yl)pyrrolidine
SMILESCCCC1(C2CCCSC2)CCCN1
InChIInChI=1S/C12H23NS/c1-2-6-12(7-4-8-13-12)11-5-3-9-14-10-11/h11,13H,2-10H2,1H3
InChIKeyARRYAALXBVMNFZ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-(thian-3-yl)pyrrolidine?
The IUPAC name of 2-propyl-2-(thian-3-yl)pyrrolidine (CID 56989623) is 2-propyl-2-(thian-3-yl)pyrrolidine.
What is the SMILES notation for 2-propyl-2-(thian-3-yl)pyrrolidine?
The canonical SMILES for 2-propyl-2-(thian-3-yl)pyrrolidine is CCCC1(C2CCCSC2)CCCN1.
What is the InChIKey of 2-propyl-2-(thian-3-yl)pyrrolidine?
The InChIKey is ARRYAALXBVMNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-2-6-12(7-4-8-13-12)11-5-3-9-14-10-11/h11,13H,2-10H2,1H3.
What are the key properties of 2-propyl-2-(thian-3-yl)pyrrolidine?
2-propyl-2-(thian-3-yl)pyrrolidine has a molecular weight of 213.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(thian-3-yl)pyrrolidine is sourced from PubChem (CID 56989623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).