4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid

C19H26N2O3S — CID 122029766

IUPAC4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)N2CCSCC2)cc1NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H26N2O3S/c1-13-2-3-15(18(22)21-8-10-25-11-9-21)12-17(13)20-16-6-4-14(5-7-16)19(23)24/h2-3,12,14,16,20H,4-11H2,1H3,(H,23,24)
InChIKeyVWFVZSWFOWMRMK-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.24
Rot. Bonds4

About 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid

4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid (PubChem CID 122029766) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
PubChem CID122029766
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)N2CCSCC2)cc1NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H26N2O3S/c1-13-2-3-15(18(22)21-8-10-25-11-9-21)12-17(13)20-16-6-4-14(5-7-16)19(23)24/h2-3,12,14,16,20H,4-11H2,1H3,(H,23,24)
InChIKeyVWFVZSWFOWMRMK-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methyl-5-(thiomorpholin-4-ylmethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029750
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 119310578
2-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975715
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258
(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
CID 3373464
[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060
4-[5-(2,2-dimethylpropanoylamino)-2-methylanilino]cyclohexane-1-carboxylic acid
CID 122029833
4-[5-(dimethylcarbamoylamino)-2-methylanilino]cyclohexane-1-carboxylic acid
CID 122033861
2-methyl-3-[methyl-[[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]amino]propanoic acid
CID 122079022
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid (CID 122029766) is 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid is Cc1ccc(C(=O)N2CCSCC2)cc1NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid?
The InChIKey is VWFVZSWFOWMRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-13-2-3-15(18(22)21-8-10-25-11-9-21)12-17(13)20-16-6-4-14(5-7-16)19(23)24/h2-3,12,14,16,20H,4-11H2,1H3,(H,23,24).
What are the key properties of 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid?
4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid has a molecular weight of 362.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122029766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).