1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine

C11H15Cl2NS3 — CID 113262622

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine
SMILESCC(NCC1CSCCS1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NS3/c1-7(9-4-10(12)17-11(9)13)14-5-8-6-15-2-3-16-8/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyXEHYTLYZOOZJKI-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.55
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine (PubChem CID 113262622) has the molecular formula C11H15Cl2NS3 and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine
PubChem CID113262622
Molecular FormulaC11H15Cl2NS3
Molecular Weight328.36 g/mol
Exact Mass326.97
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine
SMILESCC(NCC1CSCCS1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NS3/c1-7(9-4-10(12)17-11(9)13)14-5-8-6-15-2-3-16-8/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyXEHYTLYZOOZJKI-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(1,4-dithian-2-ylmethyl)ethanamine
CID 113262624
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103786858
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
N-(1,4-dithian-2-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 115727305
6-chloro-N-(1,4-dithian-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 113489554
1-(4-chlorophenyl)-N-(1,4-dithian-2-ylmethyl)propan-1-amine
CID 115727444
4-(1,4-dithian-2-ylmethylamino)pentan-1-ol
CID 115972534
N-(1,4-dithian-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 115886460
1-[4-(difluoromethoxy)phenyl]-N-(1,4-dithian-2-ylmethyl)ethanamine
CID 115727418
1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613567
1-cyclopropyl-N-(1,4-dithian-2-ylmethyl)-2-methylpropan-1-amine
CID 115727439

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine (CID 113262622) is 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine is CC(NCC1CSCCS1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine?
The InChIKey is XEHYTLYZOOZJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NS3/c1-7(9-4-10(12)17-11(9)13)14-5-8-6-15-2-3-16-8/h4,7-8,14H,2-3,5-6H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine has a molecular weight of 328.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine is sourced from PubChem (CID 113262622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).