1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine

C12H21ClN2O2S — CID 54945275

IUPAC1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2O2S/c1-16-7-5-15(6-8-17-2)10(9-14)11-3-4-12(13)18-11/h3-4,10H,5-9,14H2,1-2H3
InChIKeyZIJDAZDEMYOXJG-UHFFFAOYSA-N
MW292.83 g/mol
LogP2.00
Rot. Bonds9

About 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine

1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 54945275) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
PubChem CID54945275
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2O2S/c1-16-7-5-15(6-8-17-2)10(9-14)11-3-4-12(13)18-11/h3-4,10H,5-9,14H2,1-2H3
InChIKeyZIJDAZDEMYOXJG-UHFFFAOYSA-N
XLogP2.00
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine (CID 54945275) is 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine is COCCN(CCOC)C(CN)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is ZIJDAZDEMYOXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2S/c1-16-7-5-15(6-8-17-2)10(9-14)11-3-4-12(13)18-11/h3-4,10H,5-9,14H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine?
1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 292.83 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 54945275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).