[(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol

C12H17NO2S — CID 103778294

IUPAC[(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol
SMILESCOc1ccc(CN[C@@H]2C=C[C@H](CO)C2)s1
InChIInChI=1S/C12H17NO2S/c1-15-12-5-4-11(16-12)7-13-10-3-2-9(6-10)8-14/h2-5,9-10,13-14H,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyZCHPMGUJXFPDJW-VHSXEESVSA-N
MW239.34 g/mol
LogP1.78
Rot. Bonds5

About [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol (PubChem CID 103778294) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol
PubChem CID103778294
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name[(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol
SMILESCOc1ccc(CN[C@@H]2C=C[C@H](CO)C2)s1
InChIInChI=1S/C12H17NO2S/c1-15-12-5-4-11(16-12)7-13-10-3-2-9(6-10)8-14/h2-5,9-10,13-14H,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyZCHPMGUJXFPDJW-VHSXEESVSA-N
XLogP1.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol (CID 103778294) is [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol is COc1ccc(CN[C@@H]2C=C[C@H](CO)C2)s1.
What is the InChIKey of [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol?
The InChIKey is ZCHPMGUJXFPDJW-VHSXEESVSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-12-5-4-11(16-12)7-13-10-3-2-9(6-10)8-14/h2-5,9-10,13-14H,6-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol has a molecular weight of 239.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(5-methoxythiophen-2-yl)methylamino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 103778294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).