[3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid

C19H28FN3O2S — CID 69278897

IUPAC[3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid
SMILESO=C(O)NCCC(CCN1CCC1C1CSCCN1)c1ccc(F)cc1
InChIInChI=1S/C19H28FN3O2S/c20-16-3-1-14(2-4-16)15(5-8-22-19(24)25)6-10-23-11-7-18(23)17-13-26-12-9-21-17/h1-4,15,17-18,21-22H,5-13H2,(H,24,25)
InChIKeyYFZPKBAJNFJJGI-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.74
Rot. Bonds8

About [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid

[3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid (PubChem CID 69278897) has the molecular formula C19H28FN3O2S and a molecular weight of 381.52 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid
PubChem CID69278897
Molecular FormulaC19H28FN3O2S
Molecular Weight381.52 g/mol
Exact Mass381.19
IUPAC Name[3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid
SMILESO=C(O)NCCC(CCN1CCC1C1CSCCN1)c1ccc(F)cc1
InChIInChI=1S/C19H28FN3O2S/c20-16-3-1-14(2-4-16)15(5-8-22-19(24)25)6-10-23-11-7-18(23)17-13-26-12-9-21-17/h1-4,15,17-18,21-22H,5-13H2,(H,24,25)
InChIKeyYFZPKBAJNFJJGI-UHFFFAOYSA-N
XLogP2.74
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid?
The IUPAC name of [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid (CID 69278897) is [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid.
What is the SMILES notation for [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid?
The canonical SMILES for [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid is O=C(O)NCCC(CCN1CCC1C1CSCCN1)c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid?
The InChIKey is YFZPKBAJNFJJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2S/c20-16-3-1-14(2-4-16)15(5-8-22-19(24)25)6-10-23-11-7-18(23)17-13-26-12-9-21-17/h1-4,15,17-18,21-22H,5-13H2,(H,24,25).
What are the key properties of [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid?
[3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid has a molecular weight of 381.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-(2-thiomorpholin-3-ylazetidin-1-yl)pentyl]carbamic acid is sourced from PubChem (CID 69278897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).