(2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine

C8H11NO2S — CID 82778154

IUPAC(2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine
SMILESNCC1COC(c2ccsc2)O1
InChIInChI=1S/C8H11NO2S/c9-3-7-4-10-8(11-7)6-1-2-12-5-6/h1-2,5,7-8H,3-4,9H2
InChIKeyMQWRBWZKXRPFBO-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.12
Rot. Bonds2

About (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine

(2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine (PubChem CID 82778154) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine
PubChem CID82778154
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine
SMILESNCC1COC(c2ccsc2)O1
InChIInChI=1S/C8H11NO2S/c9-3-7-4-10-8(11-7)6-1-2-12-5-6/h1-2,5,7-8H,3-4,9H2
InChIKeyMQWRBWZKXRPFBO-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine (CID 82778154) is (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine is NCC1COC(c2ccsc2)O1.
What is the InChIKey of (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is MQWRBWZKXRPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c9-3-7-4-10-8(11-7)6-1-2-12-5-6/h1-2,5,7-8H,3-4,9H2.
What are the key properties of (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine?
(2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine has a molecular weight of 185.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-yl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 82778154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).