methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate

C15H21NO3S — CID 75484639

IUPACmethyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)Cc2cccs2)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-19-14(18)15(7-3-2-4-8-15)11-16-13(17)10-12-6-5-9-20-12/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,17)
InChIKeyISRUFCYJLHUNRK-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.53
Rot. Bonds5

About methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate

methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 75484639) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID75484639
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)Cc2cccs2)CCCCC1
InChIInChI=1S/C15H21NO3S/c1-19-14(18)15(7-3-2-4-8-15)11-16-13(17)10-12-6-5-9-20-12/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,17)
InChIKeyISRUFCYJLHUNRK-UHFFFAOYSA-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

Analyze methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-thiophen-2-ylacetamide
CID 115364188
N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 113400474
methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75484641
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
methyl 2-bromo-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 103492522
N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55912219
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 112503024
methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
CID 16639184
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2-thiophen-2-ylacetamide
CID 110483280
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate (CID 75484639) is methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1(CNC(=O)Cc2cccs2)CCCCC1.
What is the InChIKey of methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is ISRUFCYJLHUNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-19-14(18)15(7-3-2-4-8-15)11-16-13(17)10-12-6-5-9-20-12/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,17).
What are the key properties of methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate 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 methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 75484639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).