N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine

C11H17NO2S — CID 75504547

IUPACN-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC1OCCO1)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-2-9(10-4-3-7-15-10)12-8-11-13-5-6-14-11/h3-4,7,9,11-12H,2,5-6,8H2,1H3
InChIKeyMTQCIPYNPKJRCN-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.16
Rot. Bonds5

About N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine

N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 75504547) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
PubChem CID75504547
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC1OCCO1)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-2-9(10-4-3-7-15-10)12-8-11-13-5-6-14-11/h3-4,7,9,11-12H,2,5-6,8H2,1H3
InChIKeyMTQCIPYNPKJRCN-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103902072
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 113261565
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 102897054
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
CID 104578036
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057521
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclohexyl]methanol
CID 81419823
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
N-cyclopentyl-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964472
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 99821912

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (CID 75504547) is N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is CCC(NCC1OCCO1)c1cccs1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is MTQCIPYNPKJRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-9(10-4-3-7-15-10)12-8-11-13-5-6-14-11/h3-4,7,9,11-12H,2,5-6,8H2,1H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 75504547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).