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

C12H19NO2S — CID 107386192

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCC1COC(C)(C)O1
InChIInChI=1S/C12H19NO2S/c1-9-4-5-16-11(9)7-13-6-10-8-14-12(2,3)15-10/h4-5,10,13H,6-8H2,1-3H3
InChIKeyRAGVUTAFMXCBEX-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.30
Rot. Bonds4

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

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 107386192) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID107386192
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCC1COC(C)(C)O1
InChIInChI=1S/C12H19NO2S/c1-9-4-5-16-11(9)7-13-6-10-8-14-12(2,3)15-10/h4-5,10,13H,6-8H2,1-3H3
InChIKeyRAGVUTAFMXCBEX-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 107386192) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is Cc1ccsc1CNCC1COC(C)(C)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is RAGVUTAFMXCBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9-4-5-16-11(9)7-13-6-10-8-14-12(2,3)15-10/h4-5,10,13H,6-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 241.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 107386192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).