1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol

C8H13NOS — CID 82375071

IUPAC1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(CN)s1
InChIInChI=1S/C8H13NOS/c1-2-7(10)8-4-3-6(5-9)11-8/h3-4,7,10H,2,5,9H2,1H3
InChIKeyMPHZXHUCLJQVQP-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.65
Rot. Bonds3

About 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol

1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol (PubChem CID 82375071) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol
PubChem CID82375071
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(CN)s1
InChIInChI=1S/C8H13NOS/c1-2-7(10)8-4-3-6(5-9)11-8/h3-4,7,10H,2,5,9H2,1H3
InChIKeyMPHZXHUCLJQVQP-UHFFFAOYSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol?
The IUPAC name of 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol (CID 82375071) is 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol is CCC(O)c1ccc(CN)s1.
What is the InChIKey of 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol?
The InChIKey is MPHZXHUCLJQVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-7(10)8-4-3-6(5-9)11-8/h3-4,7,10H,2,5,9H2,1H3.
What are the key properties of 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol?
1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol has a molecular weight of 171.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol is sourced from PubChem (CID 82375071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).