[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol

C19H25NO2S — CID 68934675

IUPAC[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol
SMILESN[C@@]1(CO)CC[C@@H](c2ccc(OCCCc3cccs3)cc2)C1
InChIInChI=1S/C19H25NO2S/c20-19(14-21)10-9-16(13-19)15-5-7-17(8-6-15)22-11-1-3-18-4-2-12-23-18/h2,4-8,12,16,21H,1,3,9-11,13-14,20H2/t16-,19+/m1/s1
InChIKeyFFLNQLITYGSTIL-APWZRJJASA-N
MW331.48 g/mol
LogP3.72
Rot. Bonds7

About [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol

[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol (PubChem CID 68934675) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol
PubChem CID68934675
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol
SMILESN[C@@]1(CO)CC[C@@H](c2ccc(OCCCc3cccs3)cc2)C1
InChIInChI=1S/C19H25NO2S/c20-19(14-21)10-9-16(13-19)15-5-7-17(8-6-15)22-11-1-3-18-4-2-12-23-18/h2,4-8,12,16,21H,1,3,9-11,13-14,20H2/t16-,19+/m1/s1
InChIKeyFFLNQLITYGSTIL-APWZRJJASA-N
XLogP3.72
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol
CID 141211633
[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol
CID 68940187
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
1-(3-thiophen-2-ylpropyl)cyclopropan-1-amine
CID 83906553
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
2-[2-(4-iodophenoxy)ethyl]thiophene
CID 63775309
2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide
CID 55235923
2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol
CID 17213242
1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756341
3-thiophen-2-ylpropan-1-ol
CID 13109866
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
CID 134004464

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol?
The IUPAC name of [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol (CID 68934675) is [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol is N[C@@]1(CO)CC[C@@H](c2ccc(OCCCc3cccs3)cc2)C1.
What is the InChIKey of [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol?
The InChIKey is FFLNQLITYGSTIL-APWZRJJASA-N. The full InChI is InChI=1S/C19H25NO2S/c20-19(14-21)10-9-16(13-19)15-5-7-17(8-6-15)22-11-1-3-18-4-2-12-23-18/h2,4-8,12,16,21H,1,3,9-11,13-14,20H2/t16-,19+/m1/s1.
What are the key properties of [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol?
[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol has a molecular weight of 331.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol is sourced from PubChem (CID 68934675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).