4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C16H24N4O3S — CID 122024203

IUPAC4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCn1cc(C2CSCCN2C(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C16H24N4O3S/c1-19-9-12(8-17-19)14-10-24-7-6-20(14)16(23)18-13-4-2-11(3-5-13)15(21)22/h8-9,11,13-14H,2-7,10H2,1H3,(H,18,23)(H,21,22)
InChIKeyOYXFCHFOOVITSC-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.86
Rot. Bonds3

About 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024203) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024203
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCn1cc(C2CSCCN2C(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C16H24N4O3S/c1-19-9-12(8-17-19)14-10-24-7-6-20(14)16(23)18-13-4-2-11(3-5-13)15(21)22/h8-9,11,13-14H,2-7,10H2,1H3,(H,18,23)(H,21,22)
InChIKeyOYXFCHFOOVITSC-UHFFFAOYSA-N
XLogP1.86
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122024203) is 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is Cn1cc(C2CSCCN2C(=O)NC2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OYXFCHFOOVITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-19-9-12(8-17-19)14-10-24-7-6-20(14)16(23)18-13-4-2-11(3-5-13)15(21)22/h8-9,11,13-14H,2-7,10H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 352.46 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-methylpyrazol-4-yl)thiomorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).