4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid

C12H19NO3S — CID 63782957

IUPAC4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCSCC2)CC1
InChIInChI=1S/C12H19NO3S/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyUYJVSBZCRJPMQP-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.45
Rot. Bonds2

About 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid

4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63782957) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63782957
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCSCC2)CC1
InChIInChI=1S/C12H19NO3S/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyUYJVSBZCRJPMQP-UHFFFAOYSA-N
XLogP1.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid (CID 63782957) is 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCSCC2)CC1.
What is the InChIKey of 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is UYJVSBZCRJPMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 257.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).