4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine

C16H20N4O3S — CID 124945564

IUPAC4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine
SMILESNc1cc(CC[C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)ccn1
InChIInChI=1S/C16H20N4O3S/c17-16-10-13(5-7-19-16)3-4-14-12-20(8-9-23-14)24(21,22)15-2-1-6-18-11-15/h1-2,5-7,10-11,14H,3-4,8-9,12H2,(H2,17,19)/t14-/m0/s1
InChIKeyBRXFFKMCWYZPLG-AWEZNQCLSA-N
MW348.43 g/mol
LogP1.08
Rot. Bonds5

About 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine

4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine (PubChem CID 124945564) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine
PubChem CID124945564
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine
SMILESNc1cc(CC[C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)ccn1
InChIInChI=1S/C16H20N4O3S/c17-16-10-13(5-7-19-16)3-4-14-12-20(8-9-23-14)24(21,22)15-2-1-6-18-11-15/h1-2,5-7,10-11,14H,3-4,8-9,12H2,(H2,17,19)/t14-/m0/s1
InChIKeyBRXFFKMCWYZPLG-AWEZNQCLSA-N
XLogP1.08
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-cyclohexylsulfonylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110113962
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 110113956
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
2-(piperidin-1-ylmethyl)-4-pyridin-3-ylsulfonyl-1,4-oxazepane
CID 131926649
4-[2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 125022970
2-methyl-6-[(2R)-4-pyridin-3-ylsulfonylmorpholin-2-yl]pyrimidin-4-amine
CID 95847668
4-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124965523
2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine
CID 110115437
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 110113908
4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113890
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 110113973
3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
CID 110113863

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine (CID 124945564) is 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine is Nc1cc(CC[C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)ccn1.
What is the InChIKey of 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine?
The InChIKey is BRXFFKMCWYZPLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-16-10-13(5-7-19-16)3-4-14-12-20(8-9-23-14)24(21,22)15-2-1-6-18-11-15/h1-2,5-7,10-11,14H,3-4,8-9,12H2,(H2,17,19)/t14-/m0/s1.
What are the key properties of 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine?
4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine has a molecular weight of 348.43 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 124945564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).