[(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol

C20H27NOS — CID 46853562

IUPAC[(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@H](c2ccc(CCCCc3ccccc3)s2)C1
InChIInChI=1S/C20H27NOS/c21-20(15-22)13-12-17(14-20)19-11-10-18(23-19)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-11,17,22H,4-5,8-9,12-15,21H2/t17-,20+/m0/s1
InChIKeySVYYIHZUPGGMLZ-FXAWDEMLSA-N
MW329.51 g/mol
LogP4.27
Rot. Bonds7

About [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol

[(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol (PubChem CID 46853562) has the molecular formula C20H27NOS and a molecular weight of 329.51 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol
PubChem CID46853562
Molecular FormulaC20H27NOS
Molecular Weight329.51 g/mol
Exact Mass329.18
IUPAC Name[(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol
SMILESN[C@]1(CO)CC[C@H](c2ccc(CCCCc3ccccc3)s2)C1
InChIInChI=1S/C20H27NOS/c21-20(15-22)13-12-17(14-20)19-11-10-18(23-19)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-11,17,22H,4-5,8-9,12-15,21H2/t17-,20+/m0/s1
InChIKeySVYYIHZUPGGMLZ-FXAWDEMLSA-N
XLogP4.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
CID 25009740
[(1R,3S)-1-amino-3-[5-(4-phenoxyphenyl)thiophen-2-yl]cyclopentyl]methanol;hydrochloride
CID 158491930
[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol
CID 141211633
2-iodo-5-(4-phenylbutyl)thiophene
CID 142912255
[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol
CID 68934675
[1-amino-3-(4-octylphenyl)cyclohexyl]methanol
CID 68937152
[(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118899941
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine
CID 64513874
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
[(1R,3S)-1-amino-3-[4-(7-methoxyheptyl)phenyl]cyclopentyl]methanol;trans-methyl (1R,3S)-1-amino-3-[4-(7-methoxyheptyl)phenyl]cyclopentane-1-carboxylate
CID 159219495

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol (CID 46853562) is [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol is N[C@]1(CO)CC[C@H](c2ccc(CCCCc3ccccc3)s2)C1.
What is the InChIKey of [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol?
The InChIKey is SVYYIHZUPGGMLZ-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H27NOS/c21-20(15-22)13-12-17(14-20)19-11-10-18(23-19)9-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-11,17,22H,4-5,8-9,12-15,21H2/t17-,20+/m0/s1.
What are the key properties of [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol?
[(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol has a molecular weight of 329.51 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-amino-3-[5-(4-phenylbutyl)thiophen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 46853562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).