1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine

C10H17ClN2S — CID 79427710

IUPAC1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C10H17ClN2S/c1-3-13(4-2)9(6-12)10-5-8(11)7-14-10/h5,7,9H,3-4,6,12H2,1-2H3
InChIKeyBHXYNGVUNHTCJE-UHFFFAOYSA-N
MW232.78 g/mol
LogP2.74
Rot. Bonds5

About 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine (PubChem CID 79427710) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
PubChem CID79427710
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Name1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C10H17ClN2S/c1-3-13(4-2)9(6-12)10-5-8(11)7-14-10/h5,7,9H,3-4,6,12H2,1-2H3
InChIKeyBHXYNGVUNHTCJE-UHFFFAOYSA-N
XLogP2.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine (CID 79427710) is 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine is CCN(CC)C(CN)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine?
The InChIKey is BHXYNGVUNHTCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-3-13(4-2)9(6-12)10-5-8(11)7-14-10/h5,7,9H,3-4,6,12H2,1-2H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine has a molecular weight of 232.78 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 79427710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).