2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid

C12H20N2O3S — CID 81134562

IUPAC2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H20N2O3S/c15-11(16)6-10-8-18-5-4-14(10)12(17)9-2-1-3-13-7-9/h9-10,13H,1-8H2,(H,15,16)/t9-,10?/m1/s1
InChIKeyDNHQGKTWLCZARO-YHMJZVADSA-N
MW272.37 g/mol
LogP0.40
Rot. Bonds3

About 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid

2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid (PubChem CID 81134562) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
PubChem CID81134562
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H20N2O3S/c15-11(16)6-10-8-18-5-4-14(10)12(17)9-2-1-3-13-7-9/h9-10,13H,1-8H2,(H,15,16)/t9-,10?/m1/s1
InChIKeyDNHQGKTWLCZARO-YHMJZVADSA-N
XLogP0.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclohexanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66444455
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
2-[4-(morpholine-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66443562
2-[4-(oxolane-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444452
2-[4-(3-aminocyclopentanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66445748
2-[4-(azepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445684
2-[4-(1-methyl-2-oxopiperidine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210388
2-[4-(2-morpholin-2-ylacetyl)thiomorpholin-3-yl]acetic acid
CID 66428343
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
2-[4-(5-methyloxolane-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 114824511
2-[4-(2-cycloheptylacetyl)thiomorpholin-3-yl]acetic acid
CID 115909820
2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444964

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid (CID 81134562) is 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)[C@@H]1CCCNC1.
What is the InChIKey of 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is DNHQGKTWLCZARO-YHMJZVADSA-N. The full InChI is InChI=1S/C12H20N2O3S/c15-11(16)6-10-8-18-5-4-14(10)12(17)9-2-1-3-13-7-9/h9-10,13H,1-8H2,(H,15,16)/t9-,10?/m1/s1.
What are the key properties of 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid?
2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 272.37 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 81134562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).