N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine

C8H13ClN2S — CID 60887972

IUPACN'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)c1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-6(11-5-4-10)7-2-3-8(9)12-7/h2-3,6,11H,4-5,10H2,1H3
InChIKeyULUZMERZBUSTEH-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.01
Rot. Bonds4

About N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine

N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 60887972) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
PubChem CID60887972
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC NameN'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)c1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-6(11-5-4-10)7-2-3-8(9)12-7/h2-3,6,11H,4-5,10H2,1H3
InChIKeyULUZMERZBUSTEH-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744
4-[1-(5-chlorothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 77032296
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333254
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 113260011
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine (CID 60887972) is N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine is CC(NCCN)c1ccc(Cl)s1.
What is the InChIKey of N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is ULUZMERZBUSTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-6(11-5-4-10)7-2-3-8(9)12-7/h2-3,6,11H,4-5,10H2,1H3.
What are the key properties of N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine?
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 204.73 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 60887972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).