(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid

C11H18N2O3S — CID 68756695

IUPAC(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)N1CCSCC1
InChIInChI=1S/C11H18N2O3S/c14-10(15)9-3-1-2-4-13(9)11(16)12-5-7-17-8-6-12/h9H,1-8H2,(H,14,15)/t9-/m0/s1
InChIKeyXLFJXRJAAPZBQQ-VIFPVBQESA-N
MW258.34 g/mol
LogP1.09
Rot. Bonds1

About (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 68756695) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID68756695
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)N1CCSCC1
InChIInChI=1S/C11H18N2O3S/c14-10(15)9-3-1-2-4-13(9)11(16)12-5-7-17-8-6-12/h9H,1-8H2,(H,14,15)/t9-/m0/s1
InChIKeyXLFJXRJAAPZBQQ-VIFPVBQESA-N
XLogP1.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61423276
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)azepane-2-carboxylic acid
CID 64561943
1-(3,4-dihydroxypyrrolidine-1-carbonyl)azepane-2-carboxylic acid
CID 106670554
1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]azepane-2-carboxylic acid
CID 64562334
1-(1,4-oxazepane-4-carbonyl)piperidine-2-carboxylic acid
CID 62966759
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 115560799
1-(thiomorpholine-4-carbonyl)piperidine-2-carbaldehyde
CID 90846705
1-(4-propan-2-ylpiperazine-1-carbonyl)azepane-2-carboxylic acid
CID 64562136
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid (CID 68756695) is (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)N1CCSCC1.
What is the InChIKey of (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is XLFJXRJAAPZBQQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-10(15)9-3-1-2-4-13(9)11(16)12-5-7-17-8-6-12/h9H,1-8H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 68756695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).