4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine

C15H22FNS — CID 99799922

IUPAC4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine
SMILESCC1(C)CSCCN1CCCc1cccc(F)c1
InChIInChI=1S/C15H22FNS/c1-15(2)12-18-10-9-17(15)8-4-6-13-5-3-7-14(16)11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3
InChIKeyMCZBNXNQCBWIKV-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.59
Rot. Bonds4

About 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine

4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine (PubChem CID 99799922) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine
PubChem CID99799922
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine
SMILESCC1(C)CSCCN1CCCc1cccc(F)c1
InChIInChI=1S/C15H22FNS/c1-15(2)12-18-10-9-17(15)8-4-6-13-5-3-7-14(16)11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3
InChIKeyMCZBNXNQCBWIKV-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
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1-[3-(3-fluorophenyl)propyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110413541
but-1-yne;1-fluoro-3-pentylbenzene
CID 174779976
1-benzylsulfonyl-4-[3-(3-fluorophenyl)propyl]piperazine
CID 110413546
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64960886
2-cyclopropyl-1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]propan-1-one
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CID 142585756

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine?
The IUPAC name of 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine (CID 99799922) is 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine.
What is the SMILES notation for 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine?
The canonical SMILES for 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine is CC1(C)CSCCN1CCCc1cccc(F)c1.
What is the InChIKey of 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine?
The InChIKey is MCZBNXNQCBWIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-15(2)12-18-10-9-17(15)8-4-6-13-5-3-7-14(16)11-13/h3,5,7,11H,4,6,8-10,12H2,1-2H3.
What are the key properties of 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine?
4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine has a molecular weight of 267.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)propyl]-3,3-dimethylthiomorpholine is sourced from PubChem (CID 99799922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).