[2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine

C9H13NO2S — CID 82775220

IUPAC[2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCc1ccsc1C1OCC(CN)O1
InChIInChI=1S/C9H13NO2S/c1-6-2-3-13-8(6)9-11-5-7(4-10)12-9/h2-3,7,9H,4-5,10H2,1H3
InChIKeyUZLQJMYIWTWYIT-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.43
Rot. Bonds2

About [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine

[2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 82775220) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine
PubChem CID82775220
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name[2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCc1ccsc1C1OCC(CN)O1
InChIInChI=1S/C9H13NO2S/c1-6-2-3-13-8(6)9-11-5-7(4-10)12-9/h2-3,7,9H,4-5,10H2,1H3
InChIKeyUZLQJMYIWTWYIT-UHFFFAOYSA-N
XLogP1.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine (CID 82775220) is [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine is Cc1ccsc1C1OCC(CN)O1.
What is the InChIKey of [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is UZLQJMYIWTWYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-2-3-13-8(6)9-11-5-7(4-10)12-9/h2-3,7,9H,4-5,10H2,1H3.
What are the key properties of [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine?
[2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 199.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82775220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).