[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate

C15H21NO3S — CID 2346224

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H21NO3S/c1-11-8-9-20-14(11)15(18)19-10-13(17)16(2)12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3
InChIKeyUYVCPSNCEROINP-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.00
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2346224) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2346224
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H21NO3S/c1-11-8-9-20-14(11)15(18)19-10-13(17)16(2)12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3
InChIKeyUYVCPSNCEROINP-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2346224) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)N(C)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is UYVCPSNCEROINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-8-9-20-14(11)15(18)19-10-13(17)16(2)12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2346224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).