[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate

C16H23NO3S — CID 3220263

IUPAC[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
SMILESCC(C)C(OC(=O)c1cccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23NO3S/c1-11(2)14(20-16(19)13-9-6-10-21-13)15(18)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyCDKMRNZXKJODIX-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.38
Rot. Bonds5

About [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate

[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate (PubChem CID 3220263) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
PubChem CID3220263
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
SMILESCC(C)C(OC(=O)c1cccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23NO3S/c1-11(2)14(20-16(19)13-9-6-10-21-13)15(18)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyCDKMRNZXKJODIX-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470115
[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 1470132
[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3863781
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] thiophene-2-carboxylate
CID 7408897
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 55380108
[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470122
[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] 6-chloropyridine-3-carboxylate
CID 1431901
[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470123
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 43015410
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470130
(2R,3R)-2,3-dibenzoyloxy-4-(cyclohexylamino)-4-oxobutanoic acid
CID 26476592

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate (CID 3220263) is [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate is CC(C)C(OC(=O)c1cccs1)C(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate?
The InChIKey is CDKMRNZXKJODIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-11(2)14(20-16(19)13-9-6-10-21-13)15(18)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate?
[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 3220263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).