[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

C17H24N4O2S — CID 95765348

IUPAC[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCN(C)c1cc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)ccn1
InChIInChI=1S/C17H24N4O2S/c1-19(2)15-12-13(5-6-18-15)16(22)21-7-3-4-14(21)17(23)20-8-10-24-11-9-20/h5-6,12,14H,3-4,7-11H2,1-2H3/t14-/m0/s1
InChIKeyRYQWWPMTOAYCGO-AWEZNQCLSA-N
MW348.47 g/mol
LogP1.33
Rot. Bonds3

About [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 95765348) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID95765348
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCN(C)c1cc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)ccn1
InChIInChI=1S/C17H24N4O2S/c1-19(2)15-12-13(5-6-18-15)16(22)21-7-3-4-14(21)17(23)20-8-10-24-11-9-20/h5-6,12,14H,3-4,7-11H2,1-2H3/t14-/m0/s1
InChIKeyRYQWWPMTOAYCGO-AWEZNQCLSA-N
XLogP1.33
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114421473
1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364373
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[2-(dimethylamino)-4-pyridinyl]-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472375
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55637087
(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714936
2H-benzotriazol-5-yl-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 124994429
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357851

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (CID 95765348) is [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is CN(C)c1cc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)ccn1.
What is the InChIKey of [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is RYQWWPMTOAYCGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-19(2)15-12-13(5-6-18-15)16(22)21-7-3-4-14(21)17(23)20-8-10-24-11-9-20/h5-6,12,14H,3-4,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 348.47 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 95765348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).