tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin

C19H32N2O3SSn — CID 154639218

IUPACtert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin
SMILESCC[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)cc([Sn]C(C)(C)C)n1
InChIInChI=1S/C15H23N2O3S.C4H9.Sn/c1-5-13-11-20-9-8-17(13)14-10-12(6-7-16-14)15(2,3)21(4,18)19;1-4(2)3;/h6,10,13H,5,8-9,11H2,1-4H3;1-3H3;/t13-;;/m0../s1
InChIKeyDAKGUJQRNHRQQL-GXKRWWSZSA-N
MW487.25 g/mol
LogP2.52
Rot. Bonds5

About tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin

tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin (PubChem CID 154639218) has the molecular formula C19H32N2O3SSn and a molecular weight of 487.25 g/mol. Its IUPAC name is tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin.

Molecular Properties

Compound Nametert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin
PubChem CID154639218
Molecular FormulaC19H32N2O3SSn
Molecular Weight487.25 g/mol
Exact Mass488.12
IUPAC Nametert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin
SMILESCC[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)cc([Sn]C(C)(C)C)n1
InChIInChI=1S/C15H23N2O3S.C4H9.Sn/c1-5-13-11-20-9-8-17(13)14-10-12(6-7-16-14)15(2,3)21(4,18)19;1-4(2)3;/h6,10,13H,5,8-9,11H2,1-4H3;1-3H3;/t13-;;/m0../s1
InChIKeyDAKGUJQRNHRQQL-GXKRWWSZSA-N
XLogP2.52
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin with MolForge

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Related Compounds

2-tert-butyl-6-(3-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 80967084
sodium;6-(3-ethylmorpholin-4-yl)-4-(methylsulfonylmethyl)pyridine-2-sulfinic acid;hydride
CID 175056101
1-[2-chloro-6-[(3S)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-N,N-dimethylmethanesulfonamide
CID 155388386
4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
CID 175051525
(3S)-4-[6-bromo-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-ethylmorpholine
CID 138688370
sodium 6-[(3S)-3-ethylmorpholin-4-yl]-4-(methylsulfonylmethyl)pyridine-2-sulfinate
CID 142605101
1-[2-bromo-6-[(3S)-3-ethylmorpholin-4-yl]-4-pyridinyl]-N-ethylmethanesulfonamide
CID 142605120
1-[2-bromo-6-[(3S)-3-ethylmorpholin-4-yl]-4-pyridinyl]-N,N-dimethylmethanesulfonamide
CID 142605138
4-(3-ethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564205
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
(3S)-4-[6-bromo-4-(bromomethyl)-2-pyridinyl]-3-ethylmorpholine
CID 138688338
methyl 2-chloro-6-(3-ethylmorpholin-4-yl)pyrimidine-4-carboxylate
CID 76561309

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin?
The IUPAC name of tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin (CID 154639218) is tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin.
What is the SMILES notation for tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin?
The canonical SMILES for tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin is CC[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)cc([Sn]C(C)(C)C)n1.
What is the InChIKey of tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin?
The InChIKey is DAKGUJQRNHRQQL-GXKRWWSZSA-N. The full InChI is InChI=1S/C15H23N2O3S.C4H9.Sn/c1-5-13-11-20-9-8-17(13)14-10-12(6-7-16-14)15(2,3)21(4,18)19;1-4(2)3;/h6,10,13H,5,8-9,11H2,1-4H3;1-3H3;/t13-;;/m0../s1.
What are the key properties of tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin?
tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin has a molecular weight of 487.25 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[(3S)-3-ethylmorpholin-4-yl]-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]tin is sourced from PubChem (CID 154639218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).