(3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate

C14H21NO2S — CID 114197190

IUPAC(3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate
SMILESCC1CCCC(COC(=O)C(N)c2cccs2)C1
InChIInChI=1S/C14H21NO2S/c1-10-4-2-5-11(8-10)9-17-14(16)13(15)12-6-3-7-18-12/h3,6-7,10-11,13H,2,4-5,8-9,15H2,1H3
InChIKeyGTXUNBWRGOBJEY-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.12
Rot. Bonds4

About (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate

(3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate (PubChem CID 114197190) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate.

Molecular Properties

Compound Name(3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate
PubChem CID114197190
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate
SMILESCC1CCCC(COC(=O)C(N)c2cccs2)C1
InChIInChI=1S/C14H21NO2S/c1-10-4-2-5-11(8-10)9-17-14(16)13(15)12-6-3-7-18-12/h3,6-7,10-11,13H,2,4-5,8-9,15H2,1H3
InChIKeyGTXUNBWRGOBJEY-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116601534
2-amino-N-(cyclopentylmethyl)-2-thiophen-2-ylacetamide
CID 115286039
cyclobutyl 2-amino-2-thiophen-2-ylacetate
CID 115285077
[(1S,3R)-3-methylcyclohexyl]methyl 2-amino-2-cyclohexa-1,5-dien-1-ylacetate;propane
CID 145335688
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 107398508
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
CID 115286057
(2,6-dimethyloxan-4-yl) 2-amino-2-thiophen-2-ylacetate
CID 113369221
(2R)-2-amino-N-[(3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 103795876
2-amino-N-(2,4-dimethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287324
2-[chloro-(3-methylcyclohexyl)methyl]thiophene
CID 131021308
3,3-dimethylbutyl 2-amino-2-thiophen-2-ylacetate
CID 115285085
2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate?
The IUPAC name of (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate (CID 114197190) is (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate.
What is the SMILES notation for (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate?
The canonical SMILES for (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate is CC1CCCC(COC(=O)C(N)c2cccs2)C1.
What is the InChIKey of (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate?
The InChIKey is GTXUNBWRGOBJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-4-2-5-11(8-10)9-17-14(16)13(15)12-6-3-7-18-12/h3,6-7,10-11,13H,2,4-5,8-9,15H2,1H3.
What are the key properties of (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate?
(3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate has a molecular weight of 267.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate is sourced from PubChem (CID 114197190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).