N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

C11H24N2OS — CID 107132663

IUPACN-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCN(CCOC)C(CN)C1CCSC1
InChIInChI=1S/C11H24N2OS/c1-3-13(5-6-14-2)11(8-12)10-4-7-15-9-10/h10-11H,3-9,12H2,1-2H3
InChIKeySSHLWHAXXQADRP-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.04
Rot. Bonds7

About N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132663) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132663
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCN(CCOC)C(CN)C1CCSC1
InChIInChI=1S/C11H24N2OS/c1-3-13(5-6-14-2)11(8-12)10-4-7-15-9-10/h10-11H,3-9,12H2,1-2H3
InChIKeySSHLWHAXXQADRP-UHFFFAOYSA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132836
1-cyclopropyl-N-ethyl-N-propylethane-1,2-diamine
CID 43655040
1-cyclopropyl-N,N-diethylethane-1,2-diamine
CID 43654980
ethyl 3-(diethylamino)-3-(thiolan-3-yl)propanoate
CID 107133637
N-methyl-N-(3-methylbutan-2-yl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132615
N-cyclopropyl-N-(3-methylbutyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132682
1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62070724
N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132785
2-(thiolan-3-yl)butan-1-amine
CID 82596112
N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132681
N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386855
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132663) is N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is CCN(CCOC)C(CN)C1CCSC1.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is SSHLWHAXXQADRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-13(5-6-14-2)11(8-12)10-4-7-15-9-10/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 232.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).