(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine

C7H9Cl2NS — CID 82758613

IUPAC(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
SMILESCC[C@@H](N)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H9Cl2NS/c1-2-5(10)4-3-6(8)11-7(4)9/h3,5H,2,10H2,1H3/t5-/m1/s1
InChIKeyZOODXNJEHUFUIG-RXMQYKEDSA-N
MW210.13 g/mol
LogP3.46
Rot. Bonds2

About (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine

(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine (PubChem CID 82758613) has the molecular formula C7H9Cl2NS and a molecular weight of 210.13 g/mol. Its IUPAC name is (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
PubChem CID82758613
Molecular FormulaC7H9Cl2NS
Molecular Weight210.13 g/mol
Exact Mass208.98
IUPAC Name(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
SMILESCC[C@@H](N)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H9Cl2NS/c1-2-5(10)4-3-6(8)11-7(4)9/h3,5H,2,10H2,1H3/t5-/m1/s1
InChIKeyZOODXNJEHUFUIG-RXMQYKEDSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
CID 114874213
1-(2,5-dichlorothiophen-3-yl)octan-1-amine
CID 43167354
1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine
CID 107968221
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
CID 107969416
(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine
CID 130553124
5-amino-5-(2,5-dichlorothiophen-3-yl)pentanamide
CID 60860350
2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene
CID 114876054
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine
CID 107968460
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 107968447
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine?
The IUPAC name of (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine (CID 82758613) is (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine is CC[C@@H](N)c1cc(Cl)sc1Cl.
What is the InChIKey of (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine?
The InChIKey is ZOODXNJEHUFUIG-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9Cl2NS/c1-2-5(10)4-3-6(8)11-7(4)9/h3,5H,2,10H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine?
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine has a molecular weight of 210.13 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 82758613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).