ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate

C10H14ClNO4S2 — CID 54900192

IUPACethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c1-3-12(7-9(13)16-4-2)18(14,15)10-6-5-8(11)17-10/h5-6H,3-4,7H2,1-2H3
InChIKeyWSFIHCCSYXVPOQ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.98
Rot. Bonds6

About ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate

ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate (PubChem CID 54900192) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate
PubChem CID54900192
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Nameethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c1-3-12(7-9(13)16-4-2)18(14,15)10-6-5-8(11)17-10/h5-6H,3-4,7H2,1-2H3
InChIKeyWSFIHCCSYXVPOQ-UHFFFAOYSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate (CID 54900192) is ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate is CCOC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate?
The InChIKey is WSFIHCCSYXVPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-3-12(7-9(13)16-4-2)18(14,15)10-6-5-8(11)17-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate?
ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate has a molecular weight of 311.81 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]acetate is sourced from PubChem (CID 54900192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).