ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate

C15H28N2O2S — CID 104879700

IUPACethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NCCN2CCSCC2)C1
InChIInChI=1S/C15H28N2O2S/c1-2-19-15(18)13-4-3-5-14(12-13)16-6-7-17-8-10-20-11-9-17/h13-14,16H,2-12H2,1H3
InChIKeyLSRCTBNXHATDDB-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.75
Rot. Bonds6

About ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate

ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate (PubChem CID 104879700) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate
PubChem CID104879700
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Nameethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NCCN2CCSCC2)C1
InChIInChI=1S/C15H28N2O2S/c1-2-19-15(18)13-4-3-5-14(12-13)16-6-7-17-8-10-20-11-9-17/h13-14,16H,2-12H2,1H3
InChIKeyLSRCTBNXHATDDB-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate
CID 106235025
ethyl 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylate
CID 104879773
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
ethyl 3-(2-prop-2-ynylsulfanylethylamino)cyclohexane-1-carboxylate
CID 104879739
ethyl 3-(2-prop-2-enylsulfanylethylamino)cyclohexane-1-carboxylate
CID 104879733
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
CID 114173727
N-(2-thiomorpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609632
1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
CID 66983859
3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
ethyl 1-[2-(ethylamino)ethyl]piperidine-4-carboxylate
CID 61386620

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate (CID 104879700) is ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCCC(NCCN2CCSCC2)C1.
What is the InChIKey of ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate?
The InChIKey is LSRCTBNXHATDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-2-19-15(18)13-4-3-5-14(12-13)16-6-7-17-8-10-20-11-9-17/h13-14,16H,2-12H2,1H3.
What are the key properties of ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate?
ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 104879700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).