ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate

C14H24N2O3S — CID 64824562

IUPACethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)C1CCCCC1N
InChIInChI=1S/C14H24N2O3S/c1-2-19-14(18)12-9-20-8-7-16(12)13(17)10-5-3-4-6-11(10)15/h10-12H,2-9,15H2,1H3
InChIKeyHGNRNZZIOSQWGW-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.01
Rot. Bonds3

About ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate

ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate (PubChem CID 64824562) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate
PubChem CID64824562
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Nameethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)C1CCCCC1N
InChIInChI=1S/C14H24N2O3S/c1-2-19-14(18)12-9-20-8-7-16(12)13(17)10-5-3-4-6-11(10)15/h10-12H,2-9,15H2,1H3
InChIKeyHGNRNZZIOSQWGW-UHFFFAOYSA-N
XLogP1.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 64824198
ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate
CID 104913277
ethyl 4-acetylthiomorpholine-3-carboxylate
CID 60718017
ethyl 4-(2-chloroacetyl)thiomorpholine-3-carboxylate
CID 60719108
ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate
CID 60737192
ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate
CID 114423337
4-(2-ethoxycarbonylpyrrolidine-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82902421
ethyl 4-(2-chlorofuran-3-carbonyl)thiomorpholine-3-carboxylate
CID 106686228
ethyl 4-(3-amino-2,2-dimethylpropanoyl)thiomorpholine-3-carboxylate
CID 115426380
ethyl 4-[(2S,3S)-2-amino-3-methylpentanoyl]thiomorpholine-3-carboxylate
CID 61164847
ethyl 4-(3-chloro-2-methylpropanoyl)thiomorpholine-3-carboxylate
CID 55110480
ethyl 4-[2-(methylamino)propanoyl]thiomorpholine-3-carboxylate
CID 62637315

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate?
The IUPAC name of ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate (CID 64824562) is ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate is CCOC(=O)C1CSCCN1C(=O)C1CCCCC1N.
What is the InChIKey of ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate?
The InChIKey is HGNRNZZIOSQWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-2-19-14(18)12-9-20-8-7-16(12)13(17)10-5-3-4-6-11(10)15/h10-12H,2-9,15H2,1H3.
What are the key properties of ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate?
ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate has a molecular weight of 300.42 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate is sourced from PubChem (CID 64824562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).