3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

C14H24N2O3S — CID 106326768

IUPAC3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)NCCN2CCSCC2)C1
InChIInChI=1S/C14H24N2O3S/c17-13(11-2-1-3-12(10-11)14(18)19)15-4-5-16-6-8-20-9-7-16/h11-12H,1-10H2,(H,15,17)(H,18,19)
InChIKeyQJDVHXDDBJFSQV-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.04
Rot. Bonds5

About 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid

3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 106326768) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID106326768
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)NCCN2CCSCC2)C1
InChIInChI=1S/C14H24N2O3S/c17-13(11-2-1-3-12(10-11)14(18)19)15-4-5-16-6-8-20-9-7-16/h11-12H,1-10H2,(H,15,17)(H,18,19)
InChIKeyQJDVHXDDBJFSQV-UHFFFAOYSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106326297
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
2,2-dimethyl-3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106305204
3-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]cyclohexane-1-carboxamide
CID 62808201
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
1-(2-thiomorpholin-4-ylethylcarbamoyl)azepane-2-carboxylic acid
CID 106326254
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
3-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119901784
2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrrolidine-3-carboxamide
CID 102953567
3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103813669

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 106326768) is 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)NCCN2CCSCC2)C1.
What is the InChIKey of 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is QJDVHXDDBJFSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c17-13(11-2-1-3-12(10-11)14(18)19)15-4-5-16-6-8-20-9-7-16/h11-12H,1-10H2,(H,15,17)(H,18,19).
What are the key properties of 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid?
3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiomorpholin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106326768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).