[2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C16H24N4O4S — CID 134709868

IUPAC[2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCOC(CNc2ncccc2C(=O)N2CCCC2)C1
InChIInChI=1S/C16H24N4O4S/c1-25(22,23)20-9-10-24-13(12-20)11-18-15-14(5-4-6-17-15)16(21)19-7-2-3-8-19/h4-6,13H,2-3,7-12H2,1H3,(H,17,18)
InChIKeyUZWISUWOTMBUFY-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.39
Rot. Bonds5

About [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 134709868) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID134709868
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name[2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCOC(CNc2ncccc2C(=O)N2CCCC2)C1
InChIInChI=1S/C16H24N4O4S/c1-25(22,23)20-9-10-24-13(12-20)11-18-15-14(5-4-6-17-15)16(21)19-7-2-3-8-19/h4-6,13H,2-3,7-12H2,1H3,(H,17,18)
InChIKeyUZWISUWOTMBUFY-UHFFFAOYSA-N
XLogP0.39
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 127297981
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
(2-ethylmorpholin-4-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62170255
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 74250803
[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133400100
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
N-cyclohexyl-3-[[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]propanamide
CID 135089182
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010
[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133328244
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967501

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 134709868) is [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is CS(=O)(=O)N1CCOC(CNc2ncccc2C(=O)N2CCCC2)C1.
What is the InChIKey of [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is UZWISUWOTMBUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-25(22,23)20-9-10-24-13(12-20)11-18-15-14(5-4-6-17-15)16(21)19-7-2-3-8-19/h4-6,13H,2-3,7-12H2,1H3,(H,17,18).
What are the key properties of [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 368.46 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134709868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).