2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium

C23H42NO2SSnY- — CID 134839943

IUPAC2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](NS(=O)(=O)C(C)(C)C)c1cc[c-]cc1.[Y]
InChIInChI=1S/C11H15NO2S.3C4H9.Sn.Y/c1-11(2,3)15(13,14)12-9-10-7-5-4-6-8-10;3*1-3-4-2;;/h5-9,12H,1-3H3;3*1,3-4H2,2H3;;/q-1;;;;;
InChIKeyVQJXTJXACSMTEH-UHFFFAOYSA-N
MW604.28 g/mol
LogP6.63
Rot. Bonds13

About 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium

2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium (PubChem CID 134839943) has the molecular formula C23H42NO2SSnY- and a molecular weight of 604.28 g/mol. Its IUPAC name is 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium.

Molecular Properties

Compound Name2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium
PubChem CID134839943
Molecular FormulaC23H42NO2SSnY-
Molecular Weight604.28 g/mol
Exact Mass605.10
IUPAC Name2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](NS(=O)(=O)C(C)(C)C)c1cc[c-]cc1.[Y]
InChIInChI=1S/C11H15NO2S.3C4H9.Sn.Y/c1-11(2,3)15(13,14)12-9-10-7-5-4-6-8-10;3*1-3-4-2;;/h5-9,12H,1-3H3;3*1,3-4H2,2H3;;/q-1;;;;;
InChIKeyVQJXTJXACSMTEH-UHFFFAOYSA-N
XLogP6.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.28
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylidenepent-3-enyl)butane-2-sulfonamide
CID 123409379
5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide
CID 143355548
(3Z,5E)-5-(aminomethyl)hepta-1,3,5-triene-2-sulfonamide
CID 143441634
N-(cyclohexa-1,5-dien-1-ylmethyl)propane-2-sulfonamide
CID 167244698
ethane;N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide
CID 167457574
ethane;N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
CID 167457767
N-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]propane-1-sulfonamide
CID 167457575
N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]propane-1-sulfonamide
CID 167457768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium?
The IUPAC name of 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium (CID 134839943) is 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium.
What is the SMILES notation for 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium?
The canonical SMILES for 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium is CCCC[Sn](CCCC)(CCCC)[C@H](NS(=O)(=O)C(C)(C)C)c1cc[c-]cc1.[Y].
What is the InChIKey of 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium?
The InChIKey is VQJXTJXACSMTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S.3C4H9.Sn.Y/c1-11(2,3)15(13,14)12-9-10-7-5-4-6-8-10;3*1-3-4-2;;/h5-9,12H,1-3H3;3*1,3-4H2,2H3;;/q-1;;;;;.
What are the key properties of 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium?
2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium has a molecular weight of 604.28 g/mol, XLogP of 6.63, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium is sourced from PubChem (CID 134839943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).