2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine

C12H19NO2S — CID 104585287

IUPAC2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine
SMILESCC(NC1COC(C)(C)OC1)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-9(10-4-5-16-8-10)13-11-6-14-12(2,3)15-7-11/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyHWNUVAPYSISWLY-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.55
Rot. Bonds3

About 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine (PubChem CID 104585287) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine
PubChem CID104585287
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine
SMILESCC(NC1COC(C)(C)OC1)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-9(10-4-5-16-8-10)13-11-6-14-12(2,3)15-7-11/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyHWNUVAPYSISWLY-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62842188
N-(1-thiophen-3-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79904180
9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472914
4-propyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 63454289
3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine
CID 62841675
3-N,3-N-dimethyl-1-N-(1-thiophen-3-ylethyl)cyclopentane-1,3-diamine
CID 115897266
2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]-1,3-dioxan-5-amine
CID 104585272
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585198
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658906
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62841679
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585233

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine (CID 104585287) is 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine is CC(NC1COC(C)(C)OC1)c1ccsc1.
What is the InChIKey of 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine?
The InChIKey is HWNUVAPYSISWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(10-4-5-16-8-10)13-11-6-14-12(2,3)15-7-11/h4-5,8-9,11,13H,6-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 104585287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).