4-phenylthiomorpholine;pyrrolidine

C14H22N2S — CID 21333601

IUPAC4-phenylthiomorpholine;pyrrolidine
SMILESC1CCNC1.c1ccc(N2CCSCC2)cc1
InChIInChI=1S/C10H13NS.C4H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-5-3-1/h1-5H,6-9H2;5H,1-4H2
InChIKeyIPBIDRPXJJTDTJ-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.61
Rot. Bonds1

About 4-phenylthiomorpholine;pyrrolidine

4-phenylthiomorpholine;pyrrolidine (PubChem CID 21333601) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-phenylthiomorpholine;pyrrolidine.

Molecular Properties

Compound Name4-phenylthiomorpholine;pyrrolidine
PubChem CID21333601
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name4-phenylthiomorpholine;pyrrolidine
SMILESC1CCNC1.c1ccc(N2CCSCC2)cc1
InChIInChI=1S/C10H13NS.C4H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-5-3-1/h1-5H,6-9H2;5H,1-4H2
InChIKeyIPBIDRPXJJTDTJ-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylthiomorpholine;pyrrolidine?
The IUPAC name of 4-phenylthiomorpholine;pyrrolidine (CID 21333601) is 4-phenylthiomorpholine;pyrrolidine.
What is the SMILES notation for 4-phenylthiomorpholine;pyrrolidine?
The canonical SMILES for 4-phenylthiomorpholine;pyrrolidine is C1CCNC1.c1ccc(N2CCSCC2)cc1.
What is the InChIKey of 4-phenylthiomorpholine;pyrrolidine?
The InChIKey is IPBIDRPXJJTDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.C4H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-4-5-3-1/h1-5H,6-9H2;5H,1-4H2.
What are the key properties of 4-phenylthiomorpholine;pyrrolidine?
4-phenylthiomorpholine;pyrrolidine has a molecular weight of 250.41 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylthiomorpholine;pyrrolidine is sourced from PubChem (CID 21333601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).