[1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine

C15H21NOS — CID 117413818

IUPAC[1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccc(SC3COC3)cc2)CCCC1
InChIInChI=1S/C15H21NOS/c16-11-15(7-1-2-8-15)12-3-5-13(6-4-12)18-14-9-17-10-14/h3-6,14H,1-2,7-11,16H2
InChIKeyJLELFGNJGDMKEI-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.95
Rot. Bonds4

About [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine

[1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine (PubChem CID 117413818) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine
PubChem CID117413818
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name[1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccc(SC3COC3)cc2)CCCC1
InChIInChI=1S/C15H21NOS/c16-11-15(7-1-2-8-15)12-3-5-13(6-4-12)18-14-9-17-10-14/h3-6,14H,1-2,7-11,16H2
InChIKeyJLELFGNJGDMKEI-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine (CID 117413818) is [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine is NCC1(c2ccc(SC3COC3)cc2)CCCC1.
What is the InChIKey of [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine?
The InChIKey is JLELFGNJGDMKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c16-11-15(7-1-2-8-15)12-3-5-13(6-4-12)18-14-9-17-10-14/h3-6,14H,1-2,7-11,16H2.
What are the key properties of [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine?
[1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine has a molecular weight of 263.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117413818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).