ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate

C12H17NO4S2 — CID 64593291

IUPACethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NS(=O)(=O)CC
InChIInChI=1S/C12H17NO4S2/c1-3-17-12(14)10-9(8-5-6-8)7-18-11(10)13-19(15,16)4-2/h7-8,13H,3-6H2,1-2H3
InChIKeyKFEWCZMVLCPHML-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.56
Rot. Bonds6

About ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate (PubChem CID 64593291) has the molecular formula C12H17NO4S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate
PubChem CID64593291
Molecular FormulaC12H17NO4S2
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Nameethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NS(=O)(=O)CC
InChIInChI=1S/C12H17NO4S2/c1-3-17-12(14)10-9(8-5-6-8)7-18-11(10)13-19(15,16)4-2/h7-8,13H,3-6H2,1-2H3
InChIKeyKFEWCZMVLCPHML-UHFFFAOYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-chloroacetyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 2432665
ethyl 2-[(2-amino-2-methylbutanoyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 79792134
ethyl 2-(2-bromopropanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 114014241
ethyl 4-cyclopropyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 51535452
3-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897050
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 79011924
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
ethyl 2-(5-bromopentanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 103601671
ethyl 4-cyclopropyl-2-[(2-pyrrolidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 8901519
ethyl 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 8895695
ethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 55755588

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate (CID 64593291) is ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NS(=O)(=O)CC.
What is the InChIKey of ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate?
The InChIKey is KFEWCZMVLCPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-3-17-12(14)10-9(8-5-6-8)7-18-11(10)13-19(15,16)4-2/h7-8,13H,3-6H2,1-2H3.
What are the key properties of ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-(ethylsulfonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 64593291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).