[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate

C15H21NO3S — CID 2591033

IUPAC[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C15H21NO3S/c1-11-4-2-3-5-13(11)16-14(17)9-19-15(18)8-12-6-7-20-10-12/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyNCTVRFOXWOYNEB-AAEUAGOBSA-N
MW295.40 g/mol
LogP2.53
Rot. Bonds5

About [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2591033) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2591033
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C15H21NO3S/c1-11-4-2-3-5-13(11)16-14(17)9-19-15(18)8-12-6-7-20-10-12/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyNCTVRFOXWOYNEB-AAEUAGOBSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4282910
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338047
[2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4373915
[2-(1-Adamantylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4881521
1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl 3-methylthiophene-2-carboxylate
CID 25163505
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4650308
2-(Benzylamino)-2-oxoethyl thiophen-3-ylacetate
CID 2337887
[2-(Cyclohexylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2715204
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate
CID 2998730
[2-(Cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2999349
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3359928
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate
CID 3704975

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2591033) is [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate is C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is NCTVRFOXWOYNEB-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-4-2-3-5-13(11)16-14(17)9-19-15(18)8-12-6-7-20-10-12/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,16,17)/t11-,13-/m0/s1.
What are the key properties of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 295.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2591033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).