2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol

C11H17NOS — CID 65393196

IUPAC2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol
SMILESNCC1(Cc2cccs2)CCCC1O
InChIInChI=1S/C11H17NOS/c12-8-11(5-1-4-10(11)13)7-9-3-2-6-14-9/h2-3,6,10,13H,1,4-5,7-8,12H2
InChIKeyKPPVJAXORHXRFB-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.78
Rot. Bonds3

About 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol

2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol (PubChem CID 65393196) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol
PubChem CID65393196
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol
SMILESNCC1(Cc2cccs2)CCCC1O
InChIInChI=1S/C11H17NOS/c12-8-11(5-1-4-10(11)13)7-9-3-2-6-14-9/h2-3,6,10,13H,1,4-5,7-8,12H2
InChIKeyKPPVJAXORHXRFB-UHFFFAOYSA-N
XLogP1.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol (CID 65393196) is 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol is NCC1(Cc2cccs2)CCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol?
The InChIKey is KPPVJAXORHXRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c12-8-11(5-1-4-10(11)13)7-9-3-2-6-14-9/h2-3,6,10,13H,1,4-5,7-8,12H2.
What are the key properties of 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol?
2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(thiophen-2-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 65393196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).