3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol

C11H19NOS — CID 79123411

IUPAC3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol
SMILESCCC(CN)C(C)(O)c1sccc1C
InChIInChI=1S/C11H19NOS/c1-4-9(7-12)11(3,13)10-8(2)5-6-14-10/h5-6,9,13H,4,7,12H2,1-3H3
InChIKeyWCQPGJBOXODOOD-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.25
Rot. Bonds4

About 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol

3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol (PubChem CID 79123411) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol
PubChem CID79123411
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol
SMILESCCC(CN)C(C)(O)c1sccc1C
InChIInChI=1S/C11H19NOS/c1-4-9(7-12)11(3,13)10-8(2)5-6-14-10/h5-6,9,13H,4,7,12H2,1-3H3
InChIKeyWCQPGJBOXODOOD-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol?
The IUPAC name of 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol (CID 79123411) is 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol is CCC(CN)C(C)(O)c1sccc1C.
What is the InChIKey of 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol?
The InChIKey is WCQPGJBOXODOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-9(7-12)11(3,13)10-8(2)5-6-14-10/h5-6,9,13H,4,7,12H2,1-3H3.
What are the key properties of 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol?
3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-(3-methylthiophen-2-yl)pentan-2-ol is sourced from PubChem (CID 79123411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).