2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide

C8H13ClN2O2S2 — CID 43551657

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S2/c1-6(7-2-3-8(9)14-7)11-4-5-15(10,12)13/h2-3,6,11H,4-5H2,1H3,(H2,10,12,13)
InChIKeyKNSZVLVKYGIJBW-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.34
Rot. Bonds5

About 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide

2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide (PubChem CID 43551657) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
PubChem CID43551657
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S2/c1-6(7-2-3-8(9)14-7)11-4-5-15(10,12)13/h2-3,6,11H,4-5H2,1H3,(H2,10,12,13)
InChIKeyKNSZVLVKYGIJBW-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
CID 97353451
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 113260011
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-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
CID 61472334
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide
CID 106003944
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide (CID 43551657) is 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide is CC(NCCS(N)(=O)=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide?
The InChIKey is KNSZVLVKYGIJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S2/c1-6(7-2-3-8(9)14-7)11-4-5-15(10,12)13/h2-3,6,11H,4-5H2,1H3,(H2,10,12,13).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide?
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide has a molecular weight of 268.79 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 43551657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).