ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate

C12H24N2O2S — CID 107133046

IUPACethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
SMILESCCOC(=O)C(NCCN(C)C)C1CCSC1
InChIInChI=1S/C12H24N2O2S/c1-4-16-12(15)11(10-5-8-17-9-10)13-6-7-14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeySKVDSPDOXJCVGU-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.82
Rot. Bonds7

About ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate

ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate (PubChem CID 107133046) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
PubChem CID107133046
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
SMILESCCOC(=O)C(NCCN(C)C)C1CCSC1
InChIInChI=1S/C12H24N2O2S/c1-4-16-12(15)11(10-5-8-17-9-10)13-6-7-14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeySKVDSPDOXJCVGU-UHFFFAOYSA-N
XLogP0.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
CID 54895186
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
ethyl 2-(4-methoxyanilino)-2-(thiolan-3-yl)acetate
CID 107133000
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
ethyl 2-[hydroxy(thiolan-3-yl)methyl]-3-methylbutanoate
CID 107133579
ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate
CID 107133035
2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide
CID 107132959
ethyl 3-(diethylamino)-3-(thiolan-3-yl)propanoate
CID 107133637
N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132785
2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 104575511
ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 79972888

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate (CID 107133046) is ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate is CCOC(=O)C(NCCN(C)C)C1CCSC1.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate?
The InChIKey is SKVDSPDOXJCVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-4-16-12(15)11(10-5-8-17-9-10)13-6-7-14(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate?
ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate has a molecular weight of 260.40 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate is sourced from PubChem (CID 107133046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).