1-amino-5-thiophen-2-ylpentan-2-ol

C9H15NOS — CID 54294228

IUPAC1-amino-5-thiophen-2-ylpentan-2-ol
SMILESNCC(O)CCCc1cccs1
InChIInChI=1S/C9H15NOS/c10-7-8(11)3-1-4-9-5-2-6-12-9/h2,5-6,8,11H,1,3-4,7,10H2
InChIKeyRZQUBIDIRBIHJF-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.39
Rot. Bonds5

About 1-amino-5-thiophen-2-ylpentan-2-ol

1-amino-5-thiophen-2-ylpentan-2-ol (PubChem CID 54294228) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-amino-5-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name1-amino-5-thiophen-2-ylpentan-2-ol
PubChem CID54294228
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-amino-5-thiophen-2-ylpentan-2-ol
SMILESNCC(O)CCCc1cccs1
InChIInChI=1S/C9H15NOS/c10-7-8(11)3-1-4-9-5-2-6-12-9/h2,5-6,8,11H,1,3-4,7,10H2
InChIKeyRZQUBIDIRBIHJF-UHFFFAOYSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
CID 66460697
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
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CID 114193701
1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
CID 105123144
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185856
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CID 65188291

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-thiophen-2-ylpentan-2-ol?
The IUPAC name of 1-amino-5-thiophen-2-ylpentan-2-ol (CID 54294228) is 1-amino-5-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 1-amino-5-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 1-amino-5-thiophen-2-ylpentan-2-ol is NCC(O)CCCc1cccs1.
What is the InChIKey of 1-amino-5-thiophen-2-ylpentan-2-ol?
The InChIKey is RZQUBIDIRBIHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c10-7-8(11)3-1-4-9-5-2-6-12-9/h2,5-6,8,11H,1,3-4,7,10H2.
What are the key properties of 1-amino-5-thiophen-2-ylpentan-2-ol?
1-amino-5-thiophen-2-ylpentan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 54294228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).