4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid

C16H19NO3S — CID 107126369

IUPAC4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H19NO3S/c18-15(17-7-8-21-10-14(17)16(19)20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,13-14H,5-10H2,(H,19,20)
InChIKeyFSQVYPQIKJAWSX-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.82
Rot. Bonds2

About 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid

4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 107126369) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid
PubChem CID107126369
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H19NO3S/c18-15(17-7-8-21-10-14(17)16(19)20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,13-14H,5-10H2,(H,19,20)
InChIKeyFSQVYPQIKJAWSX-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
4-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]thiomorpholine-3-carboxylic acid
CID 82902215
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
4-(2-chlorobenzoyl)thiomorpholine-3-carboxylic acid
CID 78979560
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 106892485
2-[4-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]thiomorpholin-3-yl]acetic acid
CID 119210440
3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62317267
4-(4-tert-butylcyclohexanecarbonyl)thiomorpholine-3-carboxylic acid
CID 78979955
4-(2-bromobenzoyl)thiomorpholine-3-carboxylic acid
CID 78979585
4-(2-amino-3-phenylpropanoyl)thiomorpholine-3-carboxylic acid
CID 82904921
4-[(2S)-2-amino-3-phenylpropanoyl]thiomorpholine-3-carboxylic acid
CID 82905155

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid (CID 107126369) is 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)C1CCc2ccccc2C1.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is FSQVYPQIKJAWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-15(17-7-8-21-10-14(17)16(19)20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,13-14H,5-10H2,(H,19,20).
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid?
4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 107126369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).