[3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid

C19H28FN3O2S — CID 68978727

IUPAC[3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid
SMILESO=C(O)NCCC(CCN1CC(N2CCSCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H28FN3O2S/c20-17-3-1-15(2-4-17)16(5-7-21-19(24)25)6-8-22-13-18(14-22)23-9-11-26-12-10-23/h1-4,16,18,21H,5-14H2,(H,24,25)
InChIKeyMAOBSFWNFRKVJS-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.69
Rot. Bonds8

About [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid

[3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid (PubChem CID 68978727) has the molecular formula C19H28FN3O2S and a molecular weight of 381.52 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid
PubChem CID68978727
Molecular FormulaC19H28FN3O2S
Molecular Weight381.52 g/mol
Exact Mass381.19
IUPAC Name[3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid
SMILESO=C(O)NCCC(CCN1CC(N2CCSCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H28FN3O2S/c20-17-3-1-15(2-4-17)16(5-7-21-19(24)25)6-8-22-13-18(14-22)23-9-11-26-12-10-23/h1-4,16,18,21H,5-14H2,(H,24,25)
InChIKeyMAOBSFWNFRKVJS-UHFFFAOYSA-N
XLogP2.69
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid?
The IUPAC name of [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid (CID 68978727) is [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid.
What is the SMILES notation for [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid?
The canonical SMILES for [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid is O=C(O)NCCC(CCN1CC(N2CCSCC2)C1)c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid?
The InChIKey is MAOBSFWNFRKVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2S/c20-17-3-1-15(2-4-17)16(5-7-21-19(24)25)6-8-22-13-18(14-22)23-9-11-26-12-10-23/h1-4,16,18,21H,5-14H2,(H,24,25).
What are the key properties of [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid?
[3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid has a molecular weight of 381.52 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-(3-thiomorpholin-4-ylazetidin-1-yl)pentyl]carbamic acid is sourced from PubChem (CID 68978727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).