2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine

C10H19NO2S — CID 117168838

IUPAC2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(C2CCCS2)OCC(CCN)O1
InChIInChI=1S/C10H19NO2S/c1-10(9-3-2-6-14-9)12-7-8(13-10)4-5-11/h8-9H,2-7,11H2,1H3
InChIKeyQSEYUXGLAVDEGP-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.36
Rot. Bonds3

About 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine

2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine (PubChem CID 117168838) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine
PubChem CID117168838
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(C2CCCS2)OCC(CCN)O1
InChIInChI=1S/C10H19NO2S/c1-10(9-3-2-6-14-9)12-7-8(13-10)4-5-11/h8-9H,2-7,11H2,1H3
InChIKeyQSEYUXGLAVDEGP-UHFFFAOYSA-N
XLogP1.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168937
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117170087
2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168845
2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine
CID 117169026
2-[2-[(1,1-dioxothian-2-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169128
4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
2-[2-methyl-2-(thian-2-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117169160
[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine
CID 117169010
4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
CID 117169658
2-(thiolan-2-yl)ethanamine;hydrochloride
CID 53423396
3-[2-methyl-2-(thian-3-ylmethyl)-1,3-dioxolan-4-yl]propanoic acid
CID 117169295
[2-methyl-2-(oxolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 117168913

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine (CID 117168838) is 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine is CC1(C2CCCS2)OCC(CCN)O1.
What is the InChIKey of 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is QSEYUXGLAVDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(9-3-2-6-14-9)12-7-8(13-10)4-5-11/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine?
2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 217.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 117168838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).