thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate

C12H17NO2S — CID 64816874

IUPACthiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate
SMILESNC1CCCCC1C(=O)OCc1cccs1
InChIInChI=1S/C12H17NO2S/c13-11-6-2-1-5-10(11)12(14)15-8-9-4-3-7-16-9/h3-4,7,10-11H,1-2,5-6,8,13H2
InChIKeyPJKIHFUJTSUFCQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.31
Rot. Bonds3

About thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate

thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate (PubChem CID 64816874) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate
PubChem CID64816874
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namethiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate
SMILESNC1CCCCC1C(=O)OCc1cccs1
InChIInChI=1S/C12H17NO2S/c13-11-6-2-1-5-10(11)12(14)15-8-9-4-3-7-16-9/h3-4,7,10-11H,1-2,5-6,8,13H2
InChIKeyPJKIHFUJTSUFCQ-UHFFFAOYSA-N
XLogP2.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
CID 163396077
2-amino-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824515
thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
CID 78923175
thiophen-2-ylmethyl 3-aminocyclopentane-1-carboxylate
CID 66031603
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964
2-amino-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 64823784
cis-(3,5-diaminophenyl)methyl (1S,2R)-2-aminocyclohexane-1-carboxylate
CID 170211260
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
(2-aminocyclopentyl)-thiophen-2-ylmethanone
CID 116580321
trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
CID 140639603
thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
CID 106743801
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate?
The IUPAC name of thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate (CID 64816874) is thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate.
What is the SMILES notation for thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate?
The canonical SMILES for thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate is NC1CCCCC1C(=O)OCc1cccs1.
What is the InChIKey of thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate?
The InChIKey is PJKIHFUJTSUFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c13-11-6-2-1-5-10(11)12(14)15-8-9-4-3-7-16-9/h3-4,7,10-11H,1-2,5-6,8,13H2.
What are the key properties of thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate?
thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate has a molecular weight of 239.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 2-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 64816874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).