1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine

C9H15NS — CID 13287468

IUPAC1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCSC1
InChIInChI=1S/C9H15NS/c1-2-6-10(5-1)9-3-7-11-8-4-9/h3H,1-2,4-8H2
InChIKeyZRTZOKUFDJRAMK-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.10
Rot. Bonds1

About 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine

1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine (PubChem CID 13287468) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine
PubChem CID13287468
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCSC1
InChIInChI=1S/C9H15NS/c1-2-6-10(5-1)9-3-7-11-8-4-9/h3H,1-2,4-8H2
InChIKeyZRTZOKUFDJRAMK-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine?
The IUPAC name of 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine (CID 13287468) is 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine.
What is the SMILES notation for 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine?
The canonical SMILES for 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine is C1=C(N2CCCC2)CCSC1.
What is the InChIKey of 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine?
The InChIKey is ZRTZOKUFDJRAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-6-10(5-1)9-3-7-11-8-4-9/h3H,1-2,4-8H2.
What are the key properties of 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine?
1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine has a molecular weight of 169.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-thiopyran-4-yl)pyrrolidine is sourced from PubChem (CID 13287468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).