2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate

C14H21NO2S — CID 54966664

IUPAC2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
SMILESNC(C(=O)OCCc1cccs1)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c15-13(11-5-2-1-3-6-11)14(16)17-9-8-12-7-4-10-18-12/h4,7,10-11,13H,1-3,5-6,8-9,15H2
InChIKeyCMKOYHUSFDRPFB-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.74
Rot. Bonds5

About 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate

2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate (PubChem CID 54966664) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
PubChem CID54966664
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
SMILESNC(C(=O)OCCc1cccs1)C1CCCCC1
InChIInChI=1S/C14H21NO2S/c15-13(11-5-2-1-3-6-11)14(16)17-9-8-12-7-4-10-18-12/h4,7,10-11,13H,1-3,5-6,8-9,15H2
InChIKeyCMKOYHUSFDRPFB-UHFFFAOYSA-N
XLogP2.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate
CID 62479012
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
CID 62217215
1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
CID 116750876
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849723
1-[2-(1-aminoethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119435747

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate?
The IUPAC name of 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate (CID 54966664) is 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate is NC(C(=O)OCCc1cccs1)C1CCCCC1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate?
The InChIKey is CMKOYHUSFDRPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c15-13(11-5-2-1-3-6-11)14(16)17-9-8-12-7-4-10-18-12/h4,7,10-11,13H,1-3,5-6,8-9,15H2.
What are the key properties of 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate?
2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate has a molecular weight of 267.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate is sourced from PubChem (CID 54966664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).